data_1ufw_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 1ufw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' NE2' ' HB1' ' A' ' 86' ' ' ALA . 14.9 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' ' HE2' ' A' ' 61' ' ' MET . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' CE ' ' A' ' 80' ' ' MET . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.438 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 70' ' ' SER . 6.7 p-80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.549 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' MET . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.464 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG1' ' HG2' ' A' ' 60' ' ' GLN . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NE ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HE3' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.466 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 57' ' ' ASN . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.466 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.417 HG22 ' CE ' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.419 ' CB ' HD12 ' A' ' 53' ' ' LEU . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' N ' HG11 ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' ALA . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 6.9 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.425 HG12 ' CA ' ' A' ' 46' ' ' GLY . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.428 ' HE3' ' CE ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.452 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.596 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD2' HD11 ' A' ' 45' ' ' LEU . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 41' ' ' LEU . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.521 ' CE2' HG11 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG13 ' A' ' 63' ' ' VAL . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 HG23 ' CA ' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 51' ' ' ILE . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' CA ' HG23 ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' ALA . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.521 HG11 ' CE2' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.425 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.425 HD11 ' CB ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.475 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.467 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.426 HD13 ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.566 ' HE1' ' CZ ' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.459 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 45' ' ' LEU . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' CG1' ' CD2' ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.512 ' CG ' HG23 ' A' ' 74' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.407 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' N ' HD12 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' CG ' ' A' ' 48' ' ' TYR . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 80' ' ' MET . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 18' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.46 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' LEU . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.474 ' HE1' ' CE ' ' A' ' 61' ' ' MET . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 41' ' ' LEU . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE2' HG12 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 HG13 ' CE ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.421 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.417 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG13 ' CB ' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 61' ' ' MET . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' N ' HG12 ' A' ' 20' ' ' VAL . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 22' ' ' LEU . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.456 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' CG1' ' A' ' 54' ' ' VAL . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG1' HG22 ' A' ' 51' ' ' ILE . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.456 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 74' ' ' VAL . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.493 ' HE1' ' CE ' ' A' ' 61' ' ' MET . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 41' ' ' LEU . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CZ ' ' CG2' ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 51' ' ' ILE . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.414 HG13 ' SD ' ' A' ' 61' ' ' MET . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' CD ' ' CG1' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.493 ' CE ' ' HE1' ' A' ' 42' ' ' MET . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE1' HG11 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.432 ' CG2' ' CZ ' ' A' ' 48' ' ' TYR . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 18' ' ' VAL . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.478 ' HE3' ' CE ' ' A' ' 61' ' ' MET . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 HG22 ' CG1' ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.478 ' CE ' ' HE3' ' A' ' 42' ' ' MET . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' ASP . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.561 ' O ' ' N ' ' A' ' 84' ' ' GLY . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 61' ' ' MET . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' NE2' ' CG2' ' A' ' 19' ' ' VAL . 1.9 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.503 ' HE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.414 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG21 ' CD1' ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.401 ' CG1' HG23 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' CD1' ' A' ' 45' ' ' LEU . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 35' ' ' GLU . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE2' ' CE ' ' A' ' 61' ' ' MET . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE2' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 65' ' ' PHE . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.483 ' CE ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 51' ' ' ILE . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ALA . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG23 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 27' ' ' LEU . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.608 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' SER . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG11 ' CA ' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 65' ' ' PHE . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 63' ' ' VAL . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CA ' HG11 ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.456 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.496 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' CG2' ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 61' ' ' MET . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 22' ' ' LEU . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LEU . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' CA ' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.48 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' CA ' HG22 ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.496 ' CG1' ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.498 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CD1' HG11 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' ' HB1' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 51' ' ' ILE . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.498 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB1' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.7 m170 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' LEU . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 20' ' ' VAL . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' N ' HG11 ' A' ' 20' ' ' VAL . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' LEU . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 41' ' ' LEU . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG22 ' CG1' ' A' ' 54' ' ' VAL . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 51' ' ' ILE . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.436 HD12 ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.468 ' HE3' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.403 ' CG1' HD21 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG2' ' HE2' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.604 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' ' CE ' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 53' ' ' LEU . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.444 ' HE1' ' CD2' ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.536 ' CE ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 37' ' ' LEU . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.608 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.481 ' CE ' ' HE1' ' A' ' 61' ' ' MET . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD2' ' HE3' ' A' ' 80' ' ' MET . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG12 ' CA ' ' A' ' 66' ' ' ALA . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' CE ' ' A' ' 61' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.481 ' HE1' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' CA ' HG12 ' A' ' 52' ' ' VAL . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.435 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.442 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CZ ' ' CE ' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.4 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 57' ' ' ASN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.568 ' CE ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 50' ' ' THR . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' ALA . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.453 HG12 ' CG2' ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 HD22 ' CE ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.473 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 66' ' ' ALA . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 57' ' ' ASN . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.586 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.586 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.481 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -136.86 80.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -92.13 -58.83 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.84 -67.39 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -57.38 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -49.15 -60.29 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.25 -63.49 0.94 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -81.19 77.05 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 -56.75 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.92 94.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 107.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.65 150.21 7.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.45 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.11 -24.13 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -55.43 29.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.22 43.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' ' CD ' ' A' ' 92' ' ' PRO . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' NE2' ' HB1' ' A' ' 86' ' ' ALA . 14.9 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD2' ' HE2' ' A' ' 61' ' ' MET . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.551 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CG1' ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' CE ' ' A' ' 80' ' ' MET . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.438 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 70' ' ' SER . 6.7 p-80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.549 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' MET . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB1' ' NE2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.464 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.71 105.11 2.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' CD ' ' HA ' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.98 59.62 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -141.73 130.1 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 116.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.112 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -132.4 99.51 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -58.35 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.27 -59.69 4.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -46.87 -58.76 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -47.17 -56.97 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.28 27.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.39 87.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -60.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 50.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -140.43 -52.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.69 122.01 27.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.37 41.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.36 -43.79 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 1.8 m-20 -41.2 -63.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 81.68 36.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 92' ' ' PRO . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' NE ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' CD2' ' HE3' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.466 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' N ' HD13 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 57' ' ' ASN . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.466 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.417 HG22 ' CE ' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.419 ' CB ' HD12 ' A' ' 53' ' ' LEU . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' N ' HG11 ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' ALA . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.83 112.89 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.463 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 -51.58 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.55 155.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 t -104.56 -59.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -119.34 75.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -96.41 -61.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.95 -36.12 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -58.4 -61.71 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.43 -30.62 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.88 -63.99 4.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.76 72.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.049 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.42 -59.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.95 175.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 59.5 86.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.34 121.12 4.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 138.01 22.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.62 -43.16 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 73.1 m-20 -45.33 -63.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 80.85 38.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.428 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 6.9 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.51 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.425 HG12 ' CA ' ' A' ' 46' ' ' GLY . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.428 ' HE3' ' CE ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD2' ' HB2' ' A' ' 71' ' ' ALA . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.452 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.27 115.28 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.59 4.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.0 p -81.98 109.5 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 m 67.14 86.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.11 93.01 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 p -97.62 -58.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.9 -70.43 0.97 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -45.1 -58.62 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -47.44 -56.74 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.84 -70.78 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.68 63.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -96.74 -62.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 40.4 74.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -173.8 138.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.69 121.91 2.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.06 41.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -13.58 42.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 11.6 t0 -74.0 -55.94 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 79.59 37.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.596 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.555 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' ' HD3' ' A' ' 83' ' ' LYS . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' CD2' HD11 ' A' ' 45' ' ' LEU . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 41' ' ' LEU . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.521 ' CE2' HG11 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CD1' HG13 ' A' ' 63' ' ' VAL . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 HG23 ' CA ' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.434 HG13 ' CD1' ' A' ' 51' ' ' ILE . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' CA ' HG23 ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 71' ' ' ALA . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.521 HG11 ' CE2' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.425 HD11 ' CB ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.75 -157.59 28.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 159.13 12.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.99 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -122.3 94.92 4.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.771 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -94.18 -59.1 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.48 -70.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -48.16 -58.67 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -42.32 -58.8 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.82 -61.93 4.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -169.78 95.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -44.7 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 32.8 p90 -168.15 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.4 pp0? -64.14 110.61 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.18 121.37 1.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 66.92 5.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -43.15 -52.41 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -40.49 -53.71 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.26 57.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.475 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' HE2' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.467 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.426 HD13 ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.566 ' HE1' ' CZ ' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.451 ' HE2' ' CD2' ' A' ' 45' ' ' LEU . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.17 116.59 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.51 83.38 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.9 t -74.04 89.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.44 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -45.18 -58.63 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.74 -62.94 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -44.1 -58.6 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.56 -57.46 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -65.48 1.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -178.63 115.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -71.76 -55.49 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.89 143.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -140.63 141.63 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.31 143.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -93.74 -63.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -40.04 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.7 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' CG1' ' CD2' ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' N ' HG13 ' A' ' 20' ' ' VAL . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.512 ' CG ' HG23 ' A' ' 74' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.407 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' N ' HD12 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG23 ' CG ' ' A' ' 48' ' ' TYR . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 80' ' ' MET . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 18' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.46 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.81 106.52 2.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -84.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -163.87 -172.03 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -79.37 160.89 26.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -178.57 91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -97.61 -58.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -61.84 6.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -39.56 -58.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -40.9 -57.57 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.12 -62.5 4.41 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t 57.98 84.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -87.47 -60.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 58.53 109.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 62.54 133.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.88 121.15 4.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.41 14.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -47.27 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -42.54 -62.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 71.08 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HB2' ' CB ' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' LEU . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.474 ' HE1' ' CE ' ' A' ' 61' ' ' MET . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 41' ' ' LEU . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE2' HG12 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 HG13 ' CE ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.421 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB3' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.417 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.05 116.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 66.0 6.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -112.67 141.31 46.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.55 123.03 45.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -131.58 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -59.98 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.5 -68.62 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -41.22 -55.71 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -40.96 -59.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.21 -61.37 2.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t -146.5 103.95 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -89.01 -58.86 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -150.79 94.64 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.18 115.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.77 3.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.73 -46.79 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -41.45 -52.26 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 75.15 72.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG13 ' CB ' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 61' ' ' MET . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' N ' HG12 ' A' ' 20' ' ' VAL . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 22' ' ' LEU . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.464 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.456 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG22 ' CG1' ' A' ' 54' ' ' VAL . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' CG1' HG22 ' A' ' 51' ' ' ILE . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.456 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.428 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 74' ' ' VAL . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.28 -159.15 33.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.2 5.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.68 129.61 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.37 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -96.74 -57.71 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.5 -59.54 2.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -40.19 -60.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -56.99 -58.38 8.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.47 -67.22 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.87 93.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -84.04 -56.04 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.26 120.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -168.87 131.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 156.56 9.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 111.4 3.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -43.65 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -43.72 -45.06 6.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.29 42.76 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.437 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.493 ' HE1' ' CE ' ' A' ' 61' ' ' MET . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' CD1' ' CD2' ' A' ' 41' ' ' LEU . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.432 ' CZ ' ' CG2' ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 51' ' ' ILE . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.414 HG13 ' SD ' ' A' ' 61' ' ' MET . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' CD ' ' CG1' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.493 ' CE ' ' HE1' ' A' ' 42' ' ' MET . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE1' HG11 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.432 ' CG2' ' CZ ' ' A' ' 48' ' ' TYR . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.445 ' CG2' ' HB ' ' A' ' 18' ' ' VAL . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.83 -158.85 34.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.78 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.0 p -124.82 -67.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -146.05 161.64 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -57.71 113.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 -58.49 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.93 -61.95 2.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.05 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -65.12 2.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 79.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -58.09 10.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.2 173.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.38 122.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.13 122.34 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.32 40.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' ASP . 4.7 mp -84.2 -51.89 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.5 m-20 -40.58 -57.0 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.93 43.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 92' ' ' PRO . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.567 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' CD2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.478 ' HE3' ' CE ' ' A' ' 61' ' ' MET . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD12 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 HG22 ' CG1' ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.478 ' CE ' ' HE3' ' A' ' 42' ' ' MET . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 73' ' ' SER . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 78' ' ' ASP . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.561 ' O ' ' N ' ' A' ' 84' ' ' GLY . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.93 118.1 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.02 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m 61.88 76.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -59.31 109.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -110.08 120.97 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.035 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -95.09 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.7 -69.12 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.05 -56.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -46.0 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.47 -57.72 6.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.39 79.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -61.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 t80 48.1 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -167.33 150.0 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.96 151.88 11.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.572 1.827 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -23.65 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.1 -50.31 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.98 58.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 61' ' ' MET . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' CZ ' ' HE1' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.603 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.434 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.414 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' NE2' ' CG2' ' A' ' 19' ' ' VAL . 1.9 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.503 ' HE1' ' CZ ' ' A' ' 33' ' ' PHE . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.414 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG21 ' CD1' ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.401 ' CG1' HG23 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.472 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.81 107.84 2.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.76 9.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.81 90.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -62.52 -59.73 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -135.14 103.66 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.15 -57.74 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.15 -46.22 2.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.54 -60.78 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -40.27 -54.01 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.64 -57.69 5.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -116.83 77.05 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.779 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -68.61 -59.96 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.88 -55.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.78 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.45 -138.56 32.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.94 36.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -69.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.14 -64.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 175.07 41.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' CD1' ' A' ' 45' ' ' LEU . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 35' ' ' GLU . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE2' ' CE ' ' A' ' 61' ' ' MET . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE2' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 65' ' ' PHE . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG13 ' CE ' ' A' ' 61' ' ' MET . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.483 ' CE ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' CE1' HD13 ' A' ' 51' ' ' ILE . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ALA . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.77 118.23 3.54 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 66.48 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.83 83.51 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.2 p -147.71 93.23 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.22 100.11 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.33 -58.53 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.85 -58.94 11.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -44.12 -58.3 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -59.08 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 -66.88 1.52 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.25 88.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -57.55 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 48.22 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.33 138.38 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.56 160.12 20.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.91 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' ASP . 10.1 mp -50.71 -51.29 51.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -40.5 -59.24 1.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 78.25 44.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG23 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 27' ' ' LEU . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.498 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.608 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' SER . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG11 ' CA ' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 65' ' ' PHE . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 63' ' ' VAL . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' CA ' HG11 ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.456 ' HA ' ' CG1' ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.496 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 119.37 3.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' O ' ' CB ' ' A' ' 93' ' ' SER . 18.2 Cg_endo -75.04 -58.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 92' ' ' PRO . 3.0 p 165.83 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 169.61 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p 41.4 81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -58.45 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.84 -59.27 8.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -40.03 -58.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -39.94 -57.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.63 -69.58 0.47 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.25 83.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -96.1 -58.34 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 38.1 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 58.28 162.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.04 157.53 19.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.26 42.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.58 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -89.35 -64.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.53 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' CG2' ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 61' ' ' MET . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD11 ' N ' ' A' ' 22' ' ' LEU . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 24' ' ' SER . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LEU . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.405 HG22 ' CA ' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.48 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' CA ' HG22 ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' ASP . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.76 108.96 0.9 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -25.88 11.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 t 69.25 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.4 p -157.09 163.3 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 59.52 108.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -56.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.35 -52.72 3.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -43.87 -46.15 7.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -79.31 -57.74 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.19 -64.34 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -157.68 79.62 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -58.16 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -154.45 -55.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 39.68 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.05 123.25 3.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.0 -52.07 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.48 -57.96 1.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 76.49 41.47 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.496 ' CG1' ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 31' ' ' ASN . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.498 ' CE ' ' HE2' ' A' ' 61' ' ' MET . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.558 ' CD1' HG11 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' ' HB1' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 51' ' ' ILE . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.498 ' HE2' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB1' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.7 m170 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 75' ' ' LEU . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.459 ' CE ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 20' ' ' VAL . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -91.17 -160.3 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 63.16 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 p -82.74 149.12 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -165.3 85.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.06 81.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.066 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -58.14 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.65 -59.34 10.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -40.93 -58.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -59.3 5.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.61 -61.89 2.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t 56.32 85.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 -55.64 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 41.85 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -107.46 78.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.68 120.8 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.34 5.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.16 97.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -44.79 -63.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 80.79 41.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' N ' HG11 ' A' ' 20' ' ' VAL . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' LEU . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' CD2' ' A' ' 41' ' ' LEU . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG22 ' CG1' ' A' ' 54' ' ' VAL . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 ' CG1' HG22 ' A' ' 51' ' ' ILE . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.436 HD12 ' CD ' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.468 ' HE3' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.403 ' CG1' HD21 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.34 125.86 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 t -176.71 -62.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.65 82.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -166.58 96.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 -57.91 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.4 -58.76 2.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -40.34 -42.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.006 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -59.24 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.12 1.84 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -61.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 50.86 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.8 141.85 50.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.02 146.91 15.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -93.47 -65.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.2 -33.11 56.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.19 -57.08 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG2' ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' CG2' ' HE2' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.604 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' ' CE ' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 53' ' ' LEU . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.444 ' HE1' ' CD2' ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 71' ' ' ALA . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.536 ' CE ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.56 120.66 2.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 m 60.5 70.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.45 -56.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 80.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -82.42 -60.66 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -59.83 7.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.45 -57.84 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -58.8 2.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.22 14.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.63 78.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -60.59 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.96 124.27 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -98.69 136.43 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.94 156.16 15.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.39 42.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.85 -44.34 27.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -41.63 -61.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 15' ' ' ASP . . . 83.89 31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 HG13 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 37' ' ' LEU . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.608 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD1' ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.481 ' CE ' ' HE1' ' A' ' 61' ' ' MET . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD2' ' HE3' ' A' ' 80' ' ' MET . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.56 ' CE1' HG23 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG12 ' CA ' ' A' ' 66' ' ' ALA . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG22 ' CE ' ' A' ' 61' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.481 ' HE1' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' CA ' HG12 ' A' ' 52' ' ' VAL . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.435 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' HA ' ' CD1' ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.442 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 78' ' ' ASP . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.55 -159.78 28.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -165.1 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 p -106.52 140.67 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -117.4 152.4 35.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 40.85 89.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.09 -58.77 4.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -42.69 -56.59 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.43 -64.88 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.3 82.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -96.17 -59.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.34 94.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.17 166.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 -160.87 34.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.29 35.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.11 -69.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -88.22 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 174.2 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' HG2' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CZ ' ' CE ' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ARG . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.4 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 51' ' ' ILE . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 57' ' ' ASN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.568 ' CE ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 50' ' ' THR . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' ALA . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' ASP . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 HG12 ' CG2' ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.91 102.85 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.5 p -177.84 -172.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 p -52.53 -52.62 53.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -112.23 131.6 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -58.07 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -64.32 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -57.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -56.46 -58.36 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.6 -60.98 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -149.26 109.56 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -88.42 -58.11 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.9 t80 52.72 88.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.46 98.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.62 134.93 8.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.8 mt -46.26 -47.9 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -44.76 -45.05 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.85 71.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.467 ' HG2' ' CG ' ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 HD22 ' CE ' ' A' ' 61' ' ' MET . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 ' CG2' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.473 ' OH ' ' CG1' ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 66' ' ' ALA . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 57' ' ' ASN . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.424 ' N ' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.586 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.586 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.481 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.83 123.24 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -98.77 141.23 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -161.74 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 HG12 ' A' ' 89' ' ' ILE . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.2 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.567 ' H ' HG22 ' A' ' 26' ' ' THR . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.875 HD12 HG11 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 63' ' ' VAL . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HD22 ' A' ' 62' ' ' LEU . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 ' HE2' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.706 ' HE2' HD11 ' A' ' 56' ' ' ILE . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 61' ' ' MET . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' OG1' ' A' ' 17' ' ' THR . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 p80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 89' ' ' ILE . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.821 ' HB2' HD12 ' A' ' 89' ' ' ILE . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.875 HG11 HD12 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.874 HG12 HG22 ' A' ' 20' ' ' VAL . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.501 ' HB3' HG13 ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 71' ' ' ALA . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 60' ' ' GLN . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.903 HG22 HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.774 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.459 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' HE3' ' A' ' 80' ' ' MET . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 54' ' ' VAL . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.618 ' HE1' HD23 ' A' ' 41' ' ' LEU . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' HE2' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD23 HG22 ' A' ' 89' ' ' ILE . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.413 ' HE3' HD21 ' A' ' 45' ' ' LEU . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.774 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 87' ' ' VAL . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.903 HG12 HG22 ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.556 HG22 ' ND2' ' A' ' 21' ' ' ASN . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG22 HG12 ' A' ' 89' ' ' ILE . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' ND2' HG22 ' A' ' 19' ' ' VAL . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 ' OE1' ' A' ' 29' ' ' GLU . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.458 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.524 ' SD ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 15.8 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.747 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.602 HG23 HG13 ' A' ' 54' ' ' VAL . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.88 ' H ' HD22 ' A' ' 53' ' ' LEU . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.582 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 61' ' ' MET . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.74 ' O ' HG12 ' A' ' 74' ' ' VAL . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.85 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.85 HG12 ' HA ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 89' ' ' ILE . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 41' ' ' LEU . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' MET . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.45 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 60' ' ' GLN . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG11 HD13 ' A' ' 41' ' ' LEU . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.657 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 34' ' ' PRO . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.727 HD13 HG11 ' A' ' 20' ' ' VAL . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.056 HD22 HG13 ' A' ' 74' ' ' VAL . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.821 ' OH ' HG21 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.613 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.883 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.512 HD11 ' SD ' ' A' ' 61' ' ' MET . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.56 ' HG2' HG13 ' A' ' 19' ' ' VAL . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.657 ' HE2' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.056 HG13 HD22 ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 HG22 ' A' ' 89' ' ' ILE . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG21 ' OH ' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 77' ' ' VAL . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG11 ' A' ' 87' ' ' VAL . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 27' ' ' LEU . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HG22 ' A' ' 26' ' ' THR . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.71 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 82' ' ' VAL . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.408 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.453 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 50' ' ' THR . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 61' ' ' MET . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 74' ' ' VAL . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 70' ' ' SER . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 73' ' ' SER . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 77' ' ' VAL . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.677 HG11 HD12 ' A' ' 41' ' ' LEU . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.427 ' OG1' HG23 ' A' ' 64' ' ' THR . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 87' ' ' VAL . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.781 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 77' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.866 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.866 ' H ' HD13 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 61' ' ' MET . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.427 HG23 ' OG1' ' A' ' 17' ' ' THR . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.823 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 89' ' ' ILE . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 48' ' ' TYR . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.709 ' OD1' HD12 ' A' ' 89' ' ' ILE . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.452 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 87' ' ' VAL . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 41' ' ' LEU . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.731 HD13 HG12 ' A' ' 74' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HG13 ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB1' ' A' ' 71' ' ' ALA . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 41' ' ' LEU . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.784 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' H ' HG22 ' A' ' 26' ' ' THR . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.502 ' CD ' HD11 ' A' ' 56' ' ' ILE . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.443 ' SD ' HG21 ' A' ' 54' ' ' VAL . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.809 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.882 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.882 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.502 HD11 ' CD ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG13 HG23 ' A' ' 54' ' ' VAL . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 52' ' ' VAL . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.641 ' CG1' HD22 ' A' ' 45' ' ' LEU . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.853 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 80' ' ' MET . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' HD23 ' A' ' 62' ' ' LEU . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG11 ' HB1' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 41' ' ' LEU . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 3.8 m-80 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.64 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.647 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.595 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' HG22 ' A' ' 64' ' ' THR . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD23 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' CG2' ' A' ' 52' ' ' VAL . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.931 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.3 m-70 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.982 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' SER . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.48 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.647 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 37' ' ' LEU . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.53 HG21 HD21 ' A' ' 41' ' ' LEU . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' VAL . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 78' ' ' ASP . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 89' ' ' ILE . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' H ' HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE2' HD22 ' A' ' 41' ' ' LEU . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.03 HD22 HG13 ' A' ' 74' ' ' VAL . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.788 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 70' ' ' SER . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.513 HD11 ' HD2' ' A' ' 38' ' ' ARG . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.932 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.512 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD12 ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 74' ' ' VAL . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 89' ' ' ILE . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG12 ' SD ' ' A' ' 80' ' ' MET . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.841 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.646 HG22 HD23 ' A' ' 75' ' ' LEU . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.463 ' OG1' HG23 ' A' ' 64' ' ' THR . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 41' ' ' LEU . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' HD12 ' A' ' 22' ' ' LEU . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 21' ' ' ASN . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.59 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG23 HG13 ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 50' ' ' THR . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.581 ' HE2' HG22 ' A' ' 63' ' ' VAL . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.581 HG22 ' HE2' ' A' ' 61' ' ' MET . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' OG1' ' A' ' 17' ' ' THR . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 74' ' ' VAL . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.789 HG12 ' SD ' ' A' ' 80' ' ' MET . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.901 ' HB2' HD12 ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.789 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.599 HG23 ' CG1' ' A' ' 87' ' ' VAL . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.599 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.901 HD12 ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 65' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 71' ' ' ALA . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG22 ' CG1' ' A' ' 89' ' ' ILE . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.61 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.61 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.601 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 41' ' ' LEU . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.948 ' OH ' HG11 ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 HG23 HG13 ' A' ' 54' ' ' VAL . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 50' ' ' THR . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.665 ' H ' HD13 ' A' ' 53' ' ' LEU . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' A' ' 61' ' ' MET . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.948 HG11 ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 87' ' ' VAL . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.692 ' CG1' HG22 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 89' ' ' ILE . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 37' ' ' LEU . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' HG2' ' A' ' 34' ' ' PRO . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.768 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' GLN . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 89' ' ' ILE . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.949 HD23 HG22 ' A' ' 89' ' ' ILE . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 41' ' ' LEU . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' H ' ' A' ' 88' ' ' LYS . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.949 HG22 HD23 ' A' ' 75' ' ' LEU . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 65' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 22' ' ' LEU . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.721 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.618 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.767 HD23 HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.767 HD11 HD23 ' A' ' 41' ' ' LEU . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' HG11 ' A' ' 77' ' ' VAL . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 54' ' ' VAL . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.892 ' H ' HD22 ' A' ' 53' ' ' LEU . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 54' ' ' VAL . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' SER . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.592 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.863 HG21 ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.868 HG11 ' CD2' ' A' ' 41' ' ' LEU . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 22' ' ' LEU . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 21' ' ' ASN . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' OE1' HD23 ' A' ' 22' ' ' LEU . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 56' ' ' ILE . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.868 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 45' ' ' LEU . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG23 HG13 ' A' ' 54' ' ' VAL . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG13 HG23 ' A' ' 51' ' ' ILE . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 38' ' ' ARG . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.863 ' OE1' HG21 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.759 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 80' ' ' MET . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.693 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.417 HG22 ' HG ' ' A' ' 62' ' ' LEU . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.871 HG11 ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HG3' ' A' ' 29' ' ' GLU . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 27' ' ' LEU . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.517 ' H ' HG22 ' A' ' 26' ' ' THR . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.637 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.701 ' CD1' HG12 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.604 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.585 HG13 ' HE1' ' A' ' 61' ' ' MET . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.585 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HG ' HG22 ' A' ' 19' ' ' VAL . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 52' ' ' VAL . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.8 m-70 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.693 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.944 HD23 HG22 ' A' ' 89' ' ' ILE . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.46 ' O ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.667 HG11 HD12 ' A' ' 41' ' ' LEU . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 41' ' ' LEU . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 87' ' ' VAL . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.944 HG22 HD23 ' A' ' 75' ' ' LEU . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.84 ' CG2' HG13 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ILE . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 34' ' ' PRO . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD21 HG21 ' A' ' 20' ' ' VAL . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 HG13 ' A' ' 74' ' ' VAL . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 61' ' ' MET . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' ND2' ' A' ' 57' ' ' ASN . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.84 HG13 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' THR . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.831 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.929 HG13 HD22 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 89' ' ' ILE . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.807 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.724 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.996 HG22 ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG11 ' HE1' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.853 HD23 ' HE1' ' A' ' 61' ' ' MET . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' HG21 ' A' ' 54' ' ' VAL . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.688 HD21 ' HE1' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.53 HD12 HG13 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.634 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.499 HG21 ' SD ' ' A' ' 42' ' ' MET . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 38' ' ' ARG . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.853 ' HE1' HD23 ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.996 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' OG1' ' A' ' 17' ' ' THR . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.634 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.454 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 70' ' ' SER . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 89' ' ' ILE . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' SD ' ' A' ' 80' ' ' MET . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.688 ' HE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 37' ' ' LEU . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.705 HG22 HD23 ' A' ' 75' ' ' LEU . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' HG23 ' A' ' 64' ' ' THR . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 65' ' ' PHE . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' MET . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 25' ' ' PRO . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.641 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 54' ' ' VAL . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CE1' HG21 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG21 ' SD ' ' A' ' 42' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' HD12 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 17' ' ' THR . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HE2' HG21 ' A' ' 18' ' ' VAL . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.813 ' HA ' HD23 ' A' ' 72' ' ' LEU . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' SER . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.815 HD23 HG22 ' A' ' 89' ' ' ILE . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.429 ' SD ' HG12 ' A' ' 77' ' ' VAL . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 HD23 ' A' ' 75' ' ' LEU . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.807 HG22 HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.711 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 41' ' ' LEU . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' OH ' HG21 ' A' ' 77' ' ' VAL . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 66' ' ' ALA . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.546 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.813 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 45' ' ' LEU . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG21 ' OH ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 41' ' ' LEU . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.807 HG12 HG22 ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 64' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD12 ' A' ' 62' ' ' LEU . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' OE1' ' A' ' 29' ' ' GLU . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.67 ' OE1' HD13 ' A' ' 22' ' ' LEU . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.683 ' SD ' HG21 ' A' ' 54' ' ' VAL . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.64 ' OH ' HG11 ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 64' ' ' THR . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.85 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 19' ' ' VAL . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' HA ' HG23 ' A' ' 54' ' ' VAL . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ALA . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.456 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.64 HG11 ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.439 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 41' ' ' LEU . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.725 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -136.86 80.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -92.13 -58.83 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.84 -67.39 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -57.38 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -49.15 -60.29 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.25 -63.49 0.94 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -81.19 77.05 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 -56.75 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.92 94.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 107.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.65 150.21 7.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.45 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.11 -24.13 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.97 -55.43 29.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.22 43.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CD ' ' A' ' 92' ' ' PRO . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 HG12 ' A' ' 89' ' ' ILE . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.2 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' H ' HG22 ' A' ' 26' ' ' THR . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.875 HD12 HG11 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 63' ' ' VAL . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HD22 ' A' ' 62' ' ' LEU . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 ' HE2' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.706 ' HE2' HD11 ' A' ' 56' ' ' ILE . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 61' ' ' MET . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' OG1' ' A' ' 17' ' ' THR . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 p80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 89' ' ' ILE . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.821 ' HB2' HD12 ' A' ' 89' ' ' ILE . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.875 HG11 HD12 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.874 HG12 HG22 ' A' ' 20' ' ' VAL . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.501 ' HB3' HG13 ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.71 105.11 2.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' CD ' ' HA ' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.98 59.62 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -141.73 130.1 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 116.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.112 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -132.4 99.51 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -58.35 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.27 -59.69 4.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -46.87 -58.76 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -47.17 -56.97 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.28 27.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.39 87.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -60.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 50.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -140.43 -52.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.69 122.01 27.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.37 41.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.36 -43.79 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 m-20 -41.2 -63.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 81.68 36.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 71' ' ' ALA . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 92' ' ' PRO . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.903 HG22 HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.459 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' HE3' ' A' ' 80' ' ' MET . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 54' ' ' VAL . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.618 ' HE1' HD23 ' A' ' 41' ' ' LEU . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' HE2' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD23 HG22 ' A' ' 89' ' ' ILE . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.413 ' HE3' HD21 ' A' ' 45' ' ' LEU . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.774 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 87' ' ' VAL . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.903 HG12 HG22 ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.83 112.89 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 -51.58 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.55 155.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 t -104.56 -59.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -119.34 75.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -96.41 -61.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.95 -36.12 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -58.4 -61.71 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.43 -30.62 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.88 -63.99 4.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.76 72.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.049 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.42 -59.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.95 175.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 59.5 86.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.34 121.12 4.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 138.01 22.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.62 -43.16 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 73.1 m-20 -45.33 -63.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 80.85 38.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.556 HG22 ' ND2' ' A' ' 21' ' ' ASN . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG22 HG12 ' A' ' 89' ' ' ILE . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' ND2' HG22 ' A' ' 19' ' ' VAL . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 ' OE1' ' A' ' 29' ' ' GLU . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.458 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.524 ' SD ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 15.8 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.747 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.602 HG23 HG13 ' A' ' 54' ' ' VAL . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.88 ' H ' HD22 ' A' ' 53' ' ' LEU . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.582 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 61' ' ' MET . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.74 ' O ' HG12 ' A' ' 74' ' ' VAL . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.85 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.85 HG12 ' HA ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 89' ' ' ILE . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 41' ' ' LEU . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' MET . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.27 115.28 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.59 4.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.0 p -81.98 109.5 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 m 67.14 86.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.11 93.01 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 p -97.62 -58.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.9 -70.43 0.97 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -45.1 -58.62 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -47.44 -56.74 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.84 -70.78 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.68 63.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -96.74 -62.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 40.4 74.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -173.8 138.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.69 121.91 2.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.06 41.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -13.58 42.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.6 t0 -74.0 -55.94 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 79.59 37.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 60' ' ' GLN . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG11 HD13 ' A' ' 41' ' ' LEU . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.657 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 34' ' ' PRO . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.727 HD13 HG11 ' A' ' 20' ' ' VAL . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.056 HD22 HG13 ' A' ' 74' ' ' VAL . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.821 ' OH ' HG21 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.613 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.883 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.512 HD11 ' SD ' ' A' ' 61' ' ' MET . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.56 ' HG2' HG13 ' A' ' 19' ' ' VAL . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.657 ' HE2' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.056 HG13 HD22 ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 HG22 ' A' ' 89' ' ' ILE . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG21 ' OH ' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 77' ' ' VAL . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG11 ' A' ' 87' ' ' VAL . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.75 -157.59 28.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 159.13 12.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.99 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -122.3 94.92 4.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.771 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -94.18 -59.1 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.48 -70.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -48.16 -58.67 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -42.32 -58.8 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.82 -61.93 4.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -169.78 95.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -44.7 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 32.8 p90 -168.15 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.4 pp0? -64.14 110.61 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.18 121.37 1.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 66.92 5.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -43.15 -52.41 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -40.49 -53.71 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.26 57.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 27' ' ' LEU . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HG22 ' A' ' 26' ' ' THR . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.71 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 82' ' ' VAL . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.408 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.453 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 50' ' ' THR . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 61' ' ' MET . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 74' ' ' VAL . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 70' ' ' SER . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 73' ' ' SER . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 77' ' ' VAL . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.677 HG11 HD12 ' A' ' 41' ' ' LEU . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.17 116.59 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.51 83.38 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.9 t -74.04 89.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.44 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -45.18 -58.63 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.74 -62.94 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -44.1 -58.6 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.56 -57.46 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -65.48 1.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -178.63 115.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -71.76 -55.49 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.89 143.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -140.63 141.63 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.423 ' C ' HD12 ' A' ' 14' ' ' LEU . . . 128.31 143.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 12' ' ' GLY . 5.8 mp -93.74 -63.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -40.04 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.7 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.427 ' OG1' HG23 ' A' ' 64' ' ' THR . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 87' ' ' VAL . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.781 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 77' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.866 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.866 ' H ' HD13 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 61' ' ' MET . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.427 HG23 ' OG1' ' A' ' 17' ' ' THR . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.823 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 89' ' ' ILE . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 48' ' ' TYR . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.709 ' OD1' HD12 ' A' ' 89' ' ' ILE . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.452 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 87' ' ' VAL . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 41' ' ' LEU . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.731 HD13 HG12 ' A' ' 74' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HG13 ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.81 106.52 2.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD3' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 -84.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -163.87 -172.03 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -79.37 160.89 26.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -178.57 91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -97.61 -58.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -61.84 6.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -39.56 -58.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -40.9 -57.57 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.12 -62.5 4.41 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t 57.98 84.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -87.47 -60.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 58.53 109.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 62.54 133.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.88 121.15 4.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.41 14.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -47.27 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 79.8 m-20 -42.54 -62.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.08 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB1' ' A' ' 71' ' ' ALA . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 41' ' ' LEU . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.784 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' H ' HG22 ' A' ' 26' ' ' THR . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.502 ' CD ' HD11 ' A' ' 56' ' ' ILE . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.443 ' SD ' HG21 ' A' ' 54' ' ' VAL . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.809 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.882 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.882 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.502 HD11 ' CD ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG13 HG23 ' A' ' 54' ' ' VAL . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 52' ' ' VAL . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.641 ' CG1' HD22 ' A' ' 45' ' ' LEU . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.853 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 80' ' ' MET . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.05 116.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 66.0 6.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -112.67 141.31 46.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.55 123.03 45.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -131.58 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -59.98 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.5 -68.62 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -41.22 -55.71 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -40.96 -59.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.21 -61.37 2.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t -146.5 103.95 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -89.01 -58.86 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -150.79 94.64 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.18 115.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.77 3.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.73 -46.79 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.1 p-10 -41.45 -52.26 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 75.15 72.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' HD23 ' A' ' 62' ' ' LEU . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG11 ' HB1' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 41' ' ' LEU . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 3.8 m-80 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.64 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.595 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' HG22 ' A' ' 64' ' ' THR . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 HD23 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' CG2' ' A' ' 52' ' ' VAL . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.931 ' HA ' HD23 ' A' ' 72' ' ' LEU . 2.3 m-70 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.982 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' SER . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.48 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.647 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 37' ' ' LEU . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.53 HG21 HD21 ' A' ' 41' ' ' LEU . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' VAL . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 78' ' ' ASP . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.28 -159.15 33.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.2 5.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.68 129.61 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.37 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -96.74 -57.71 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.5 -59.54 2.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -40.19 -60.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -56.99 -58.38 8.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.47 -67.22 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.87 93.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -84.04 -56.04 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.26 120.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -168.87 131.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 156.56 9.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 111.4 3.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -43.65 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.9 m-20 -43.72 -45.06 6.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 66.29 42.76 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 89' ' ' ILE . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' H ' HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE2' HD22 ' A' ' 41' ' ' LEU . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.03 HD22 HG13 ' A' ' 74' ' ' VAL . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.788 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 70' ' ' SER . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.513 HD11 ' HD2' ' A' ' 38' ' ' ARG . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.932 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.512 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD12 ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 74' ' ' VAL . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 89' ' ' ILE . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG12 ' SD ' ' A' ' 80' ' ' MET . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.841 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.646 HG22 HD23 ' A' ' 75' ' ' LEU . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.83 -158.85 34.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.78 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.0 p -124.82 -67.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -146.05 161.64 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -57.71 113.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 -58.49 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.93 -61.95 2.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.05 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -65.12 2.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 79.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -58.09 10.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.2 173.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.38 122.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.13 122.34 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.32 40.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' ASP . 4.7 mp -84.2 -51.89 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.5 m-20 -40.58 -57.0 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 74.93 43.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.463 ' OG1' HG23 ' A' ' 64' ' ' THR . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 92' ' ' PRO . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 41' ' ' LEU . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' HD12 ' A' ' 22' ' ' LEU . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 21' ' ' ASN . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.59 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG23 HG13 ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 50' ' ' THR . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.581 ' HE2' HG22 ' A' ' 63' ' ' VAL . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG22 ' HE2' ' A' ' 61' ' ' MET . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' OG1' ' A' ' 17' ' ' THR . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 74' ' ' VAL . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.789 HG12 ' SD ' ' A' ' 80' ' ' MET . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.901 ' HB2' HD12 ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.789 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.599 HG23 ' CG1' ' A' ' 87' ' ' VAL . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.599 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.901 HD12 ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.93 118.1 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.02 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m 61.88 76.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -59.31 109.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -110.08 120.97 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.035 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -95.09 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.7 -69.12 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.05 -56.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -46.0 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.47 -57.72 6.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.39 79.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -61.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 t80 48.1 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -167.33 150.0 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.96 151.88 11.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.572 1.827 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -23.65 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 m-20 -71.1 -50.31 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 65' ' ' PHE . . . 66.98 58.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 71' ' ' ALA . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG22 ' CG1' ' A' ' 89' ' ' ILE . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.61 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.61 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.601 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 41' ' ' LEU . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.948 ' OH ' HG11 ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.459 HG23 HG13 ' A' ' 54' ' ' VAL . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 50' ' ' THR . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.665 ' H ' HD13 ' A' ' 53' ' ' LEU . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' A' ' 61' ' ' MET . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 19' ' ' VAL . 1.7 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.948 HG11 ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 87' ' ' VAL . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.692 ' CG1' HG22 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.81 107.84 2.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.76 9.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.81 90.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -62.52 -59.73 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -135.14 103.66 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.15 -57.74 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.15 -46.22 2.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.54 -60.78 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -40.27 -54.01 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.64 -57.69 5.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -116.83 77.05 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.779 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -68.61 -59.96 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.88 -55.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.78 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.45 -138.56 32.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.94 36.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -69.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -90.14 -64.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 175.07 41.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 92' ' ' PRO . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 89' ' ' ILE . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 37' ' ' LEU . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' HG2' ' A' ' 34' ' ' PRO . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.768 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' GLN . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 89' ' ' ILE . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.949 HD23 HG22 ' A' ' 89' ' ' ILE . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 41' ' ' LEU . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' H ' ' A' ' 88' ' ' LYS . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.949 HG22 HD23 ' A' ' 75' ' ' LEU . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.77 118.23 3.54 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 66.48 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.83 83.51 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.2 p -147.71 93.23 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.22 100.11 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.33 -58.53 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.85 -58.94 11.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -44.12 -58.3 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -59.08 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 -66.88 1.52 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.25 88.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -57.55 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 48.22 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.33 138.38 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.56 160.12 20.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.91 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' ASP . 10.1 mp -50.71 -51.29 51.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -40.5 -59.24 1.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 78.25 44.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG23 ' HD3' ' A' ' 92' ' ' PRO . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 22' ' ' LEU . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.721 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.618 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.767 HD23 HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.767 HD11 HD23 ' A' ' 41' ' ' LEU . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' HG11 ' A' ' 77' ' ' VAL . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 54' ' ' VAL . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.892 ' H ' HD22 ' A' ' 53' ' ' LEU . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 54' ' ' VAL . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' SER . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.592 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 119.37 3.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 -58.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 92' ' ' PRO . 3.0 p 165.83 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 169.61 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p 41.4 81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -58.45 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.84 -59.27 8.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -40.03 -58.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -39.94 -57.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.63 -69.58 0.47 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.25 83.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -96.1 -58.34 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 38.1 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 58.28 162.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.04 157.53 19.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.26 42.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -84.58 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 m-20 -89.35 -64.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 176.53 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.863 HG21 ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.868 HG11 ' CD2' ' A' ' 41' ' ' LEU . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 22' ' ' LEU . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 21' ' ' ASN . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' OE1' HD23 ' A' ' 22' ' ' LEU . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 56' ' ' ILE . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.868 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.402 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 45' ' ' LEU . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG23 HG13 ' A' ' 54' ' ' VAL . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG13 HG23 ' A' ' 51' ' ' ILE . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 38' ' ' ARG . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.863 ' OE1' HG21 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.759 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 80' ' ' MET . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.76 108.96 0.9 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -25.88 11.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.511 ' OG ' HD12 ' A' ' 14' ' ' LEU . 16.0 t 69.25 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.4 p -157.09 163.3 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 59.52 108.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -56.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.35 -52.72 3.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -43.87 -46.15 7.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -79.31 -57.74 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.19 -64.34 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -157.68 79.62 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -58.16 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -154.45 -55.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 39.68 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.05 123.25 3.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.0 -52.07 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -40.48 -57.96 1.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 76.49 41.47 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.693 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.417 HG22 ' HG ' ' A' ' 62' ' ' LEU . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.871 HG11 ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HG3' ' A' ' 29' ' ' GLU . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 27' ' ' LEU . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' H ' HG22 ' A' ' 26' ' ' THR . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.637 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.701 ' CD1' HG12 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.604 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.585 HG13 ' HE1' ' A' ' 61' ' ' MET . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.585 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HG ' HG22 ' A' ' 19' ' ' VAL . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 52' ' ' VAL . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.8 m-70 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.693 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.944 HD23 HG22 ' A' ' 89' ' ' ILE . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.46 ' O ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.667 HG11 HD12 ' A' ' 41' ' ' LEU . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 41' ' ' LEU . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 87' ' ' VAL . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.944 HG22 HD23 ' A' ' 75' ' ' LEU . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -91.17 -160.3 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 63.16 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 p -82.74 149.12 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -165.3 85.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.06 81.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.066 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -58.14 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.65 -59.34 10.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -40.93 -58.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -59.3 5.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.61 -61.89 2.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t 56.32 85.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 -55.64 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 41.85 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -107.46 78.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.68 120.8 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.34 5.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.16 97.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -44.79 -63.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 80.79 41.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.84 ' CG2' HG13 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.575 HG23 ' HD3' ' A' ' 92' ' ' PRO . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 34' ' ' PRO . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD21 HG21 ' A' ' 20' ' ' VAL . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 HG13 ' A' ' 74' ' ' VAL . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 61' ' ' MET . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' ND2' ' A' ' 57' ' ' ASN . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.84 HG13 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' THR . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.831 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.929 HG13 HD22 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 89' ' ' ILE . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.807 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.34 125.86 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD3' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 t -176.71 -62.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.65 82.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -166.58 96.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 -57.91 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.4 -58.76 2.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -40.34 -42.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.006 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -59.24 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.12 1.84 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -61.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 50.86 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.8 141.85 50.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.02 146.91 15.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -93.47 -65.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.2 -33.11 56.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.19 -57.08 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.724 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.996 HG22 ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG11 ' HE1' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.853 HD23 ' HE1' ' A' ' 61' ' ' MET . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' HG21 ' A' ' 54' ' ' VAL . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD21 ' HE1' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.53 HD12 HG13 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.499 HG21 ' SD ' ' A' ' 42' ' ' MET . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 38' ' ' ARG . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.853 ' HE1' HD23 ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.996 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' OG1' ' A' ' 17' ' ' THR . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.634 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.454 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 70' ' ' SER . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 89' ' ' ILE . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' SD ' ' A' ' 80' ' ' MET . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.688 ' HE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 37' ' ' LEU . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.705 HG22 HD23 ' A' ' 75' ' ' LEU . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.56 120.66 2.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 m 60.5 70.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.45 -56.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 80.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -82.42 -60.66 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -59.83 7.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.45 -57.84 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -58.8 2.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.22 14.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.63 78.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -60.59 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.96 124.27 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -98.69 136.43 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.94 156.16 15.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.39 42.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.85 -44.34 27.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -41.63 -61.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 83.89 31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' HG23 ' A' ' 64' ' ' THR . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 65' ' ' PHE . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' MET . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 25' ' ' PRO . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.641 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 54' ' ' VAL . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CE1' HG21 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG21 ' SD ' ' A' ' 42' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' HD12 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 17' ' ' THR . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HE2' HG21 ' A' ' 18' ' ' VAL . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.813 ' HA ' HD23 ' A' ' 72' ' ' LEU . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' SER . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.815 HD23 HG22 ' A' ' 89' ' ' ILE . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.429 ' SD ' HG12 ' A' ' 77' ' ' VAL . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 HD23 ' A' ' 75' ' ' LEU . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.55 -159.78 28.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -165.1 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 p -106.52 140.67 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -117.4 152.4 35.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 40.85 89.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.09 -58.77 4.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -42.69 -56.59 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.43 -64.88 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.3 82.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -96.17 -59.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.34 94.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.17 166.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 -160.87 34.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.29 35.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 93' ' ' SER . 1.8 mt -94.11 -69.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 15.8 t70 -88.22 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 174.2 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG12 ' HD3' ' A' ' 92' ' ' PRO . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.807 HG22 HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.711 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 41' ' ' LEU . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' OH ' HG21 ' A' ' 77' ' ' VAL . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 50' ' ' THR . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 66' ' ' ALA . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.546 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.813 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 45' ' ' LEU . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG21 ' OH ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 41' ' ' LEU . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.807 HG12 HG22 ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.91 102.85 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD3' HG12 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.47 ' HB2' HD12 ' A' ' 14' ' ' LEU . 80.5 p -177.84 -172.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 p -52.53 -52.62 53.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -112.23 131.6 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -58.07 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -64.32 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -57.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -56.46 -58.36 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.6 -60.98 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -149.26 109.56 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -88.42 -58.11 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.9 t80 52.72 88.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.46 98.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.62 134.93 8.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.8 mt -46.26 -47.9 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -44.76 -45.05 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 64' ' ' THR . . . 64.85 71.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD12 ' A' ' 62' ' ' LEU . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' OE1' ' A' ' 29' ' ' GLU . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.67 ' OE1' HD13 ' A' ' 22' ' ' LEU . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.683 ' SD ' HG21 ' A' ' 54' ' ' VAL . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.64 ' OH ' HG11 ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 64' ' ' THR . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.85 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 19' ' ' VAL . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' HA ' HG23 ' A' ' 54' ' ' VAL . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ALA . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.456 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.64 HG11 ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.439 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 41' ' ' LEU . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.725 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.83 123.24 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -98.77 141.23 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -161.74 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 HG12 ' A' ' 89' ' ' ILE . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 14.9 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.567 ' H ' HG22 ' A' ' 26' ' ' THR . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.875 HD12 HG11 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 63' ' ' VAL . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HD22 ' A' ' 62' ' ' LEU . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 ' HE2' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.706 ' HE2' HD11 ' A' ' 56' ' ' ILE . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.594 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 61' ' ' MET . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' OG1' ' A' ' 17' ' ' THR . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 70' ' ' SER . 6.7 p-80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.549 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 89' ' ' ILE . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.821 ' HB2' HD12 ' A' ' 89' ' ' ILE . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.875 HG11 HD12 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.874 HG12 HG22 ' A' ' 20' ' ' VAL . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.501 ' HB3' HG13 ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 71' ' ' ALA . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG1' ' HG2' ' A' ' 60' ' ' GLN . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.903 HG22 HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.774 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.459 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' HE3' ' A' ' 80' ' ' MET . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 54' ' ' VAL . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.618 ' HE1' HD23 ' A' ' 41' ' ' LEU . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' HE2' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.767 HD23 HG22 ' A' ' 89' ' ' ILE . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.413 ' HE3' HD21 ' A' ' 45' ' ' LEU . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.774 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 87' ' ' VAL . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.903 HG12 HG22 ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.556 HG22 ' ND2' ' A' ' 21' ' ' ASN . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG22 HG12 ' A' ' 89' ' ' ILE . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' ND2' HG22 ' A' ' 19' ' ' VAL . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 ' OE1' ' A' ' 29' ' ' GLU . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.458 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.524 ' SD ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 6.9 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.747 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.602 HG23 HG13 ' A' ' 54' ' ' VAL . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.88 ' H ' HD22 ' A' ' 53' ' ' LEU . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.582 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 61' ' ' MET . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.74 ' O ' HG12 ' A' ' 74' ' ' VAL . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.85 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.85 HG12 ' HA ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 89' ' ' ILE . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 41' ' ' LEU . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' MET . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.45 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 60' ' ' GLN . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.727 HG11 HD13 ' A' ' 41' ' ' LEU . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.657 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 34' ' ' PRO . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.727 HD13 HG11 ' A' ' 20' ' ' VAL . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.056 HD22 HG13 ' A' ' 74' ' ' VAL . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.821 ' OH ' HG21 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.613 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.883 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.512 HD11 ' SD ' ' A' ' 61' ' ' MET . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.56 ' HG2' HG13 ' A' ' 19' ' ' VAL . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.657 ' HE2' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.056 HG13 HD22 ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 HG22 ' A' ' 89' ' ' ILE . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG21 ' OH ' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 77' ' ' VAL . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG11 ' A' ' 87' ' ' VAL . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 27' ' ' LEU . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HG22 ' A' ' 26' ' ' THR . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.71 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 82' ' ' VAL . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.408 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.453 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 50' ' ' THR . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 61' ' ' MET . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 74' ' ' VAL . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 70' ' ' SER . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 73' ' ' SER . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 77' ' ' VAL . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.677 HG11 HD12 ' A' ' 41' ' ' LEU . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.427 ' OG1' HG23 ' A' ' 64' ' ' THR . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 87' ' ' VAL . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.781 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 77' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.866 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.866 ' H ' HD13 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 61' ' ' MET . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.427 HG23 ' OG1' ' A' ' 17' ' ' THR . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.823 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 89' ' ' ILE . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 48' ' ' TYR . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.709 ' OD1' HD12 ' A' ' 89' ' ' ILE . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.452 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 87' ' ' VAL . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 41' ' ' LEU . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.731 HD13 HG12 ' A' ' 74' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HG13 ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB1' ' A' ' 71' ' ' ALA . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 41' ' ' LEU . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.784 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' H ' HG22 ' A' ' 26' ' ' THR . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.502 ' CD ' HD11 ' A' ' 56' ' ' ILE . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.443 ' SD ' HG21 ' A' ' 54' ' ' VAL . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.809 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.882 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.882 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.502 HD11 ' CD ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.642 HG13 HG23 ' A' ' 54' ' ' VAL . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 52' ' ' VAL . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.641 ' CG1' HD22 ' A' ' 45' ' ' LEU . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.853 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 80' ' ' MET . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' HD23 ' A' ' 62' ' ' LEU . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG11 ' HB1' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 41' ' ' LEU . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.64 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.647 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.595 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' HG22 ' A' ' 64' ' ' THR . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD23 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' CG2' ' A' ' 52' ' ' VAL . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.931 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.6 m170 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.982 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' SER . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.48 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.647 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 37' ' ' LEU . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.53 HG21 HD21 ' A' ' 41' ' ' LEU . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' VAL . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 78' ' ' ASP . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 89' ' ' ILE . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' H ' HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE2' HD22 ' A' ' 41' ' ' LEU . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.03 HD22 HG13 ' A' ' 74' ' ' VAL . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.788 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 70' ' ' SER . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.513 HD11 ' HD2' ' A' ' 38' ' ' ARG . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.932 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.512 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD12 ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 74' ' ' VAL . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 89' ' ' ILE . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG12 ' SD ' ' A' ' 80' ' ' MET . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.841 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.646 HG22 HD23 ' A' ' 75' ' ' LEU . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 ' OG1' HG23 ' A' ' 64' ' ' THR . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 41' ' ' LEU . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' HD12 ' A' ' 22' ' ' LEU . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 21' ' ' ASN . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.59 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.408 HG23 HG13 ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 50' ' ' THR . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.581 ' HE2' HG22 ' A' ' 63' ' ' VAL . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.581 HG22 ' HE2' ' A' ' 61' ' ' MET . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' OG1' ' A' ' 17' ' ' THR . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 74' ' ' VAL . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.789 HG12 ' SD ' ' A' ' 80' ' ' MET . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.901 ' HB2' HD12 ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.789 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.599 HG23 ' CG1' ' A' ' 87' ' ' VAL . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.599 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.901 HD12 ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 65' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 71' ' ' ALA . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.692 HG22 ' CG1' ' A' ' 89' ' ' ILE . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.61 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.61 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.601 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 41' ' ' LEU . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.948 ' OH ' HG11 ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 HG23 HG13 ' A' ' 54' ' ' VAL . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 50' ' ' THR . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.665 ' H ' HD13 ' A' ' 53' ' ' LEU . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' A' ' 61' ' ' MET . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 19' ' ' VAL . 1.9 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.948 HG11 ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 87' ' ' VAL . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.692 ' CG1' HG22 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 89' ' ' ILE . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 37' ' ' LEU . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' HG2' ' A' ' 34' ' ' PRO . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.768 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' GLN . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 89' ' ' ILE . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.949 HD23 HG22 ' A' ' 89' ' ' ILE . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 41' ' ' LEU . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' H ' ' A' ' 88' ' ' LYS . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.949 HG22 HD23 ' A' ' 75' ' ' LEU . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 65' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 22' ' ' LEU . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.721 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.618 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.767 HD23 HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.767 HD11 HD23 ' A' ' 41' ' ' LEU . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' HG11 ' A' ' 77' ' ' VAL . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 54' ' ' VAL . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.892 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.892 ' H ' HD22 ' A' ' 53' ' ' LEU . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 54' ' ' VAL . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' SER . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.592 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.863 HG21 ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.868 HG11 ' CD2' ' A' ' 41' ' ' LEU . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 22' ' ' LEU . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 21' ' ' ASN . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' OE1' HD23 ' A' ' 22' ' ' LEU . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 56' ' ' ILE . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.868 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 45' ' ' LEU . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG23 HG13 ' A' ' 54' ' ' VAL . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG13 HG23 ' A' ' 51' ' ' ILE . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 38' ' ' ARG . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.863 ' OE1' HG21 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.759 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 80' ' ' MET . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.693 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.417 HG22 ' HG ' ' A' ' 62' ' ' LEU . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.871 HG11 ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HG3' ' A' ' 29' ' ' GLU . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 27' ' ' LEU . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.517 ' H ' HG22 ' A' ' 26' ' ' THR . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.637 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.701 ' CD1' HG12 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.604 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.585 HG13 ' HE1' ' A' ' 61' ' ' MET . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.585 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HG ' HG22 ' A' ' 19' ' ' VAL . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 52' ' ' VAL . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.7 m170 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.693 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.944 HD23 HG22 ' A' ' 89' ' ' ILE . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.46 ' O ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.667 HG11 HD12 ' A' ' 41' ' ' LEU . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 41' ' ' LEU . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 87' ' ' VAL . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.944 HG22 HD23 ' A' ' 75' ' ' LEU . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.84 ' CG2' HG13 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 89' ' ' ILE . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 34' ' ' PRO . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD21 HG21 ' A' ' 20' ' ' VAL . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 HG13 ' A' ' 74' ' ' VAL . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 61' ' ' MET . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' ND2' ' A' ' 57' ' ' ASN . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.84 HG13 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' THR . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.831 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.929 HG13 HD22 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 89' ' ' ILE . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.807 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.724 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.996 HG22 ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG11 ' HE1' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.853 HD23 ' HE1' ' A' ' 61' ' ' MET . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' HG21 ' A' ' 54' ' ' VAL . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.688 HD21 ' HE1' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.53 HD12 HG13 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.634 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.499 HG21 ' SD ' ' A' ' 42' ' ' MET . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 38' ' ' ARG . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.853 ' HE1' HD23 ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.996 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' OG1' ' A' ' 17' ' ' THR . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.634 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.454 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 70' ' ' SER . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 89' ' ' ILE . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' SD ' ' A' ' 80' ' ' MET . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.688 ' HE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 37' ' ' LEU . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.705 HG22 HD23 ' A' ' 75' ' ' LEU . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' HG23 ' A' ' 64' ' ' THR . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 65' ' ' PHE . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG11 HE21 ' A' ' 60' ' ' GLN . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 25' ' ' PRO . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.641 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 54' ' ' VAL . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CE1' HG21 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG21 ' SD ' ' A' ' 42' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.438 HE21 HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' HD12 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 17' ' ' THR . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HE2' HG21 ' A' ' 18' ' ' VAL . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.813 ' HA ' HD23 ' A' ' 72' ' ' LEU . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' SER . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.815 HD23 HG22 ' A' ' 89' ' ' ILE . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.429 ' SD ' HG12 ' A' ' 77' ' ' VAL . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 HD23 ' A' ' 75' ' ' LEU . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.807 HG22 HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.711 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 41' ' ' LEU . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' OH ' HG21 ' A' ' 77' ' ' VAL . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 66' ' ' ALA . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.546 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.813 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 45' ' ' LEU . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG21 ' OH ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 41' ' ' LEU . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.807 HG12 HG22 ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 64' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD12 ' A' ' 62' ' ' LEU . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' OE1' ' A' ' 29' ' ' GLU . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.67 ' OE1' HD13 ' A' ' 22' ' ' LEU . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.683 ' SD ' HG21 ' A' ' 54' ' ' VAL . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.64 ' OH ' HG11 ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 64' ' ' THR . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.85 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 19' ' ' VAL . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' HA ' HG23 ' A' ' 54' ' ' VAL . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ALA . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.456 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.64 HG11 ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.439 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 41' ' ' LEU . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.725 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -136.86 80.8 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -92.13 -58.83 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.84 -67.39 2.18 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.64 -57.38 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -49.15 -60.29 2.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.25 -63.49 0.94 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.547 1.154 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -81.19 77.05 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -96.16 -56.75 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 45.92 94.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -171.8 107.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.65 150.21 7.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.45 15.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.11 -24.13 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -61.97 -55.43 29.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.22 43.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.1 m -106.63 148.5 28.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CD ' ' A' ' 92' ' ' PRO . 23.8 m -147.04 149.09 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 90' ' ' SER . 1.6 p -97.9 130.66 46.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 HG12 ' A' ' 89' ' ' ILE . 78.7 t -112.7 136.12 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -139.19 159.18 42.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD1' ' OE2' ' A' ' 29' ' ' GLU . 9.0 mt -97.42 146.7 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.631 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 14.9 mt-30 -77.88 -51.02 11.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.82 70.16 80.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.34 41.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.8 m -99.69 -170.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' H ' HG22 ' A' ' 26' ' ' THR . 4.1 mt -61.34 -42.67 99.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.56 -43.24 89.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mt-10 -74.54 -51.09 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.0 -27.93 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.82 -50.26 9.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -174.32 132.13 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.4 t80 -39.02 132.5 1.14 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -74.97 155.72 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.563 1.822 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -77.53 -36.07 52.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -24.34 66.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 34' ' ' PRO . 27.3 mt -94.32 -52.75 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.38 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 70.7 m -39.61 -59.07 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -46.52 -40.4 12.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.263 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.875 HD12 HG11 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -74.65 -55.11 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.597 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.9 mmt -51.93 -39.92 59.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.4 -33.05 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.237 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.7 m -74.26 -68.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 17.2 mt -49.53 -42.08 42.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -52.56 -47.91 56.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' GLY . 4.3 t -38.82 -63.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.768 . . . . 0.0 110.033 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 77' ' ' VAL . 95.7 m-85 -38.07 -49.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.27 2.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.79 122.3 7.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 0.732 . . . . 0.0 110.409 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.6 mm -72.6 118.18 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.09 -10.94 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.84 150.45 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 63' ' ' VAL . 20.6 m -150.69 144.2 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' O ' HD22 ' A' ' 62' ' ' LEU . 7.1 ttt180 -144.69 110.25 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 ' HE2' ' A' ' 61' ' ' MET . 1.5 mp -91.25 129.35 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -102.77 152.99 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 57' ' ' ASN . 28.5 mt-30 -30.93 -40.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.65 45.78 0.9 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.17 172.99 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 0.742 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.706 ' HE2' HD11 ' A' ' 56' ' ' ILE . 37.8 ttm -151.78 89.94 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.594 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -85.09 103.99 14.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.55 HG23 ' HG2' ' A' ' 61' ' ' MET . 77.3 t -100.76 141.91 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' OG1' ' A' ' 17' ' ' THR . 40.6 m -118.3 144.78 45.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -122.81 -177.03 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.12 -49.7 6.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.94 167.4 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.5 p -92.38 -48.54 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.549 ' CD2' ' N ' ' A' ' 70' ' ' SER . 6.7 p-80 -41.69 -49.79 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.549 ' N ' ' CD2' ' A' ' 69' ' ' HIS . 26.0 p -43.28 -51.93 6.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -48.18 -51.38 25.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.01 -58.88 3.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.543 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -51.98 -54.23 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 89' ' ' ILE . 70.6 t -57.31 -26.26 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 71' ' ' ALA . 21.5 mt -81.45 -25.68 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -51.42 6.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 48' ' ' TYR . 10.6 p -72.31 -9.78 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.821 ' HB2' HD12 ' A' ' 89' ' ' ILE . 1.4 t0 -39.42 -44.85 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.72 -29.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.53 1.144 . . . . 0.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -45.06 169.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.784 . . . . 0.0 110.997 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.46 140.41 51.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.875 HG11 HD12 ' A' ' 41' ' ' LEU . 70.4 t -117.25 124.98 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.8 mptt 59.45 32.24 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.73 78.43 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -106.13 132.77 51.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.631 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.93 125.51 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.585 1.178 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -102.67 157.06 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -143.87 118.35 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.874 HG12 HG22 ' A' ' 20' ' ' VAL . 5.2 mt -106.71 140.12 25.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.501 ' HB3' HG13 ' A' ' 19' ' ' VAL . 1.6 t -124.9 177.9 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.71 105.11 2.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' CD ' ' HA ' ' A' ' 18' ' ' VAL . 18.4 Cg_endo -74.98 59.62 5.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -141.73 130.1 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.33 116.42 0.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.112 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -132.4 99.51 4.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -58.35 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.968 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.27 -59.69 4.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t -46.87 -58.76 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -47.17 -56.97 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.57 -55.28 27.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.39 87.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.0 -60.49 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 50.13 100.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -140.43 -52.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.69 122.01 27.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 153.37 41.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tp -91.36 -43.79 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.8 m-20 -41.2 -63.35 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 81.68 36.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.8 m -101.89 145.86 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 71' ' ' ALA . 16.4 m -143.56 146.81 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 92' ' ' PRO . 9.5 t -100.82 133.13 45.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.903 HG22 HG12 ' A' ' 89' ' ' ILE . 88.0 t -114.52 147.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -153.63 164.72 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -104.26 127.17 51.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.2 -59.3 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.78 71.35 78.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.169 . . . . 0.0 109.984 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.19 16.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.8 m -100.45 168.42 9.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.05 -46.48 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.84 -27.37 60.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' THR . 3.5 mt-10 -91.92 -40.99 10.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -21.27 10.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -53.22 5.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -167.04 140.13 3.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.42 132.16 18.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.539 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.01 151.42 39.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.11 -28.83 54.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -67.79 -21.7 65.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD22 ' CG2' ' A' ' 82' ' ' VAL . 19.8 mt -94.52 -48.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.3 m -41.22 -53.37 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -48.63 -43.86 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.618 HD23 ' HE1' ' A' ' 61' ' ' MET . 2.3 mp -76.4 -57.42 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.459 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 17.8 mmt -44.41 -40.34 5.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.6 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.5 m -51.52 -64.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD21 ' HE3' ' A' ' 80' ' ' MET . 11.8 mt -59.82 -48.72 80.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -51.71 -40.68 49.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -49.41 -64.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.981 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 77' ' ' VAL . 25.1 m-85 -37.28 -52.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.15 -129.13 4.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -143.59 132.7 23.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 0.745 . . . . 0.0 110.39 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.438 HG23 HG13 ' A' ' 54' ' ' VAL . 19.1 mm -81.17 107.3 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 26.6 m -97.6 -16.51 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 174.26 149.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 53' ' ' LEU . 24.4 m -145.48 151.86 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.17 113.85 3.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.5 mt -97.31 144.29 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.542 ' O ' ' C ' ' A' ' 58' ' ' GLN . 2.2 t-20 -113.6 160.0 19.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.542 ' C ' ' O ' ' A' ' 57' ' ' ASN . 70.8 mm-40 -26.07 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.04 48.22 0.8 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 3.3 tt0 -155.27 166.93 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.618 ' HE1' HD23 ' A' ' 41' ' ' LEU . 8.7 ttt -146.33 90.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.64 104.12 16.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG21 ' HE2' ' A' ' 61' ' ' MET . 77.8 t -104.19 134.49 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.8 m -111.08 147.24 35.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -123.57 175.69 6.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -91.33 -31.43 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.71 167.39 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.7 p -93.19 -45.52 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -45.5 -33.06 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.577 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 t -63.22 -58.31 7.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -55.74 -34.12 64.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -53.44 -60.11 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.406 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -68.17 -50.07 56.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.979 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -52.15 -30.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.767 HD23 HG22 ' A' ' 89' ' ' ILE . 11.4 mt -66.04 -47.47 74.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -73.25 -42.59 62.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 48' ' ' TYR . 27.0 t -54.18 -22.13 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -43.82 -30.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.72 -20.23 5.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.413 ' HE3' HD21 ' A' ' 45' ' ' LEU . 3.4 ptp -51.78 169.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.97 129.36 46.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.774 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -115.72 122.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER 58.58 36.57 25.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.67 5.65 57.01 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -102.4 133.87 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.86 125.2 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.497 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -104.19 168.53 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 87' ' ' VAL . 9.7 tttt -148.38 141.83 25.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.903 HG12 HG22 ' A' ' 20' ' ' VAL . 23.0 mt -130.13 120.71 49.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.8 m -108.47 170.03 8.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.83 112.89 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -75.01 -51.58 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.55 155.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.3 t -104.56 -59.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -119.34 75.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -96.41 -61.35 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.95 -36.12 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -58.4 -61.71 2.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.753 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 p -68.43 -30.62 69.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.88 -63.99 4.59 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.76 72.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 110.049 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t -95.42 -59.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.95 175.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 59.5 86.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.34 121.12 4.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 138.01 22.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.454 1.765 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -87.62 -43.16 12.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 73.1 m-20 -45.33 -63.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 80.85 38.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 55.1 m -104.51 137.69 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG11 HD21 ' A' ' 75' ' ' LEU . 34.8 m -134.38 154.34 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.556 HG22 ' ND2' ' A' ' 21' ' ' ASN . 7.5 p -102.58 131.97 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG22 HG12 ' A' ' 89' ' ' ILE . 41.4 t -110.71 131.74 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' ND2' HG22 ' A' ' 19' ' ' VAL . 22.0 m-80 -144.55 168.44 20.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD13 ' OE1' ' A' ' 29' ' ' GLU . 68.1 mt -112.12 129.75 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.665 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 8.2 mt-30 -59.61 -60.95 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.433 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 1.2 t -125.63 77.01 69.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.458 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.05 156.81 42.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -91.76 -165.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.13 -37.3 83.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 3.3 mt-10 -94.37 -41.87 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.65 -22.81 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.75 -43.25 10.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.49 152.05 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -63.62 127.64 91.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.02 154.53 42.48 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -75.09 -47.82 26.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -24.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 34' ' ' PRO . 17.4 mt -91.63 -56.0 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -41.18 -73.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.2 m -39.45 -48.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.441 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 44' ' ' THR . 3.6 mm-40 -56.17 -44.57 79.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -74.21 -59.46 2.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.524 ' SD ' ' HE3' ' A' ' 61' ' ' MET . 30.7 mmt -40.37 -52.75 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' CG ' ' N ' ' A' ' 44' ' ' THR . 6.9 pt20 -68.67 -44.72 73.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.1 m -58.06 -67.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD22 ' CG2' ' A' ' 74' ' ' VAL . 9.4 mt -56.94 -44.74 82.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -52.97 -42.11 60.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.7 -63.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.747 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 51.8 m-85 -37.77 -38.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.62 -128.32 2.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.5 m -146.11 122.39 10.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.354 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.602 HG23 HG13 ' A' ' 54' ' ' VAL . 18.8 mm -73.07 99.95 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.35 -15.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.88 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 173.48 148.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.88 ' H ' HD22 ' A' ' 53' ' ' LEU . 14.9 m -147.89 146.77 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -138.21 108.79 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.542 HD11 ' CD2' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -81.88 127.64 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 58' ' ' GLN . 21.6 m-20 -104.56 144.67 31.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 57' ' ' ASN . 10.7 mt-30 -34.81 -40.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -135.51 47.89 0.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 1.7 mt-30 179.73 -173.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.347 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.582 ' HG3' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -167.62 103.34 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.3 mp -86.56 107.03 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 61' ' ' MET . 58.3 t -101.11 127.21 54.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.3 m -106.28 143.85 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -123.07 175.41 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.81 -36.16 14.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.88 167.42 11.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -93.84 -44.62 8.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -50.16 -30.68 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.61 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.74 ' O ' HG12 ' A' ' 74' ' ' VAL . 3.0 p -71.02 -51.93 22.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' O ' HD23 ' A' ' 75' ' ' LEU . . . -64.86 -28.15 69.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -45.91 60.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -56.68 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.85 ' HA ' HG12 ' A' ' 77' ' ' VAL . 4.3 p -57.79 -31.82 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -60.45 -38.56 84.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.49 -53.77 7.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.85 HG12 ' HA ' ' A' ' 74' ' ' VAL . 0.8 OUTLIER -64.8 -11.47 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 89' ' ' ILE . 2.7 p-10 -44.85 -37.8 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.31 -22.01 3.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.517 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.1 ptt? -51.24 166.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -116.65 138.07 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 41' ' ' LEU . 77.2 t -119.06 125.13 74.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 37' ' ' LEU . 18.0 mmtt 57.97 37.92 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.34 9.66 55.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -107.79 136.02 48.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -75.52 118.52 18.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 80' ' ' MET . 34.6 m -100.19 158.76 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -140.47 113.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.8 mt -113.62 112.73 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 7.7 m -117.86 -177.47 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.27 115.28 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.157 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 71.59 4.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 90.0 p -81.98 109.5 16.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.3 m 67.14 86.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.11 93.01 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 p -97.62 -58.51 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.9 -70.43 0.97 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -45.1 -58.62 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -47.44 -56.74 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.84 -70.78 0.25 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.68 63.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 t -96.74 -62.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 40.4 74.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -173.8 138.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.69 121.91 2.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.06 41.44 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.53 -13.58 42.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.641 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 11.6 t0 -74.0 -55.94 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 79.59 37.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.1 m -109.3 142.82 39.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' CG1' ' HB1' ' A' ' 71' ' ' ALA . 26.6 m -133.24 149.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG13 ' HG2' ' A' ' 60' ' ' GLN . 63.9 t -101.46 137.47 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG11 HD13 ' A' ' 41' ' ' LEU . 71.5 t -118.95 137.56 52.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -147.02 161.06 41.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mt -100.92 150.22 23.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 12.9 mm100 -83.53 -54.4 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.2 t -128.12 71.42 79.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 179.65 5.88 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -119.4 -170.05 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.73 -54.02 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -43.49 -51.43 6.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -66.89 -52.65 40.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.53 -33.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.15 -41.37 20.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.6 mt-10 -175.46 139.75 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.657 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 3.5 t80 -53.18 136.4 49.29 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.554 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -75.02 131.19 13.99 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -13.67 59.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -81.16 -26.41 36.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 34' ' ' PRO . 39.1 mt -93.04 -25.58 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' LEU . 8.1 mtp180 -66.58 -75.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 t -38.18 -42.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 44' ' ' THR . 1.5 tp10 -57.23 -48.21 79.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.727 HD13 HG11 ' A' ' 20' ' ' VAL . 8.5 tt -71.44 -46.46 59.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.618 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 14.2 mmt -57.87 -44.98 86.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 4.8 m -67.19 -71.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.056 HD22 HG13 ' A' ' 74' ' ' VAL . 39.4 mt -55.2 -21.0 12.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -63.41 -14.48 54.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -85.13 -51.11 6.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.821 ' OH ' HG21 ' A' ' 77' ' ' VAL . 8.2 m-85 -44.78 -48.19 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.93 -126.9 2.74 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.14 116.33 6.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 0.733 . . . . 0.0 110.416 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -63.28 94.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.613 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 10.6 t -73.54 -26.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.76 158.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.883 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -132.03 150.46 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -151.75 106.67 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.512 HD11 ' SD ' ' A' ' 61' ' ' MET . 3.6 mt -89.42 136.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.9 OUTLIER -101.63 150.08 23.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' C ' ' O ' ' A' ' 57' ' ' ASN . 9.8 mp0 -26.14 -51.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.67 52.5 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.56 ' HG2' HG13 ' A' ' 19' ' ' VAL . 4.3 tt0 -171.21 173.81 4.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.657 ' HE2' ' CZ ' ' A' ' 33' ' ' PHE . 1.6 ttp -141.16 111.42 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 2.4 mp -104.85 116.32 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 77.2 t -104.21 133.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 m -107.6 143.61 35.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -129.91 -179.27 5.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -96.47 -45.58 6.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -95.67 157.09 16.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.6 p -93.16 -47.15 7.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.95 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -43.79 -42.69 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -63.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.967 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 18' ' ' VAL . . . -43.91 -41.94 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -55.0 37.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.57 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.02 -38.75 92.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.056 HG13 HD22 ' A' ' 45' ' ' LEU . 92.1 t -68.85 -22.06 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 HD23 HG22 ' A' ' 89' ' ' ILE . 26.5 mt -82.67 -21.96 34.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.24 -52.53 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG21 ' OH ' ' A' ' 48' ' ' TYR . 11.5 p -64.95 -16.24 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.678 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -43.13 -37.45 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.01 -26.72 2.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.643 ' SD ' HG22 ' A' ' 77' ' ' VAL . 9.9 ptt? -49.92 173.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -124.47 144.56 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.407 HG23 HG11 ' A' ' 87' ' ' VAL . 89.6 t -115.39 123.6 71.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER 60.72 17.13 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.09 -14.56 63.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.89 133.14 35.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.765 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.28 116.35 13.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.4 p -99.77 162.48 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 2.3 tttt -143.77 123.22 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 78' ' ' ASP . 9.8 mt -114.6 123.28 70.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.07 -165.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.006 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.75 -157.59 28.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -165.69 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.771 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.18 159.13 12.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.99 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -122.3 94.92 4.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.771 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m -94.18 -59.1 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.48 -70.5 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -48.16 -58.67 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -42.32 -58.8 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.82 -61.93 4.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -169.78 95.04 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -44.7 70.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 32.8 p90 -168.15 -42.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.4 pp0? -64.14 110.61 2.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.18 121.37 1.18 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 66.92 5.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -43.15 -52.41 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -40.49 -53.71 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.26 57.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 92.7 m -106.17 143.25 34.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.5 m -140.14 141.9 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 90' ' ' SER . 5.5 p -91.36 124.48 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG11 ' CD2' ' A' ' 41' ' ' LEU . 38.9 t -106.35 137.83 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -153.92 173.49 15.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.01 131.05 50.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.541 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 20.6 mt-30 -62.2 -52.66 62.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.435 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 83.9 p -131.75 72.21 80.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.63 42.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 27' ' ' LEU . 40.4 m -102.1 176.62 5.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.388 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' H ' HG22 ' A' ' 26' ' ' THR . 4.4 mm? -50.34 -48.95 55.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -51.18 -45.41 61.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.92 -44.82 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.19 -19.75 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -84.37 -49.43 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.97 138.77 2.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.71 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.5 t80 -57.07 125.84 71.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 133.5 16.63 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 37' ' ' LEU . 4.7 pt-20 -59.47 -41.65 90.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.08 -25.75 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' ARG . 15.5 mt -92.67 -55.94 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -37.31 -75.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -39.1 -55.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -40.36 60.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.677 HD12 HG11 ' A' ' 82' ' ' VAL . 1.7 mp -74.47 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.408 ' CE ' ' SD ' ' A' ' 61' ' ' MET . 14.1 mmt -40.17 -41.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 47' ' ' SER . 19.9 mm-40 -81.46 -54.75 5.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.5 m -45.97 -61.69 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 80' ' ' MET . 21.5 mt -66.01 -47.54 74.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -52.14 -27.1 22.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLN . 22.5 t -64.52 -61.62 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.736 ' CE2' HG21 ' A' ' 77' ' ' VAL . 30.8 m-85 -38.47 -43.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -128.82 -132.84 3.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.453 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -141.25 118.82 11.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.383 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.9 mm -61.86 97.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG22 ' A' ' 50' ' ' THR . 4.4 t -85.55 -20.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.13 152.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.89 147.84 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -147.23 108.29 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' CD1' ' NH1' ' A' ' 38' ' ' ARG . 4.6 mt -88.68 137.53 20.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.569 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.3 t-20 -108.78 160.49 15.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.569 ' C ' ' O ' ' A' ' 57' ' ' ASN . 41.3 mt-30 -22.93 -51.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.73 44.03 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.88 170.67 17.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 0.745 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.71 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 40.5 ttm -144.14 89.54 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mp -81.01 102.39 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.587 HG23 ' HG2' ' A' ' 61' ' ' MET . 53.9 t -98.33 130.16 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.3 m -110.88 150.2 29.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -129.88 179.35 5.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -85.62 -44.38 12.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.546 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 2.1 m-20 -95.89 152.25 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.7 p -86.92 -25.01 24.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 7.4 p80 -77.41 -38.82 48.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 74' ' ' VAL . 49.9 m -43.73 -39.72 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -68.44 -53.77 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -45.19 -44.02 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.969 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -59.89 -36.74 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 70' ' ' SER . 99.7 t -77.82 -32.78 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 9.8 mp -51.18 -33.57 27.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.9 -39.45 15.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 73' ' ' SER . 31.1 t -60.56 -15.41 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.9 m-20 -38.42 -53.31 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -36.77 -41.9 0.64 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.615 ' SD ' HG12 ' A' ' 77' ' ' VAL . 6.9 ptt? -40.34 160.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -125.44 133.53 52.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.677 HG11 HD12 ' A' ' 41' ' ' LEU . 74.0 t -109.0 121.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.36 37.28 25.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.33 7.28 60.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -107.05 127.2 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.19 125.57 25.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -103.88 159.91 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -140.81 125.17 17.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.1 mp -123.92 112.26 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.573 ' O ' HG12 ' A' ' 19' ' ' VAL . 2.1 t -116.86 169.47 9.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -104.17 116.59 5.4 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.91 6.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.51 83.38 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 42.9 t -74.04 89.85 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.44 -58.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -45.18 -58.63 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.74 -62.94 0.92 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -44.1 -58.6 2.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.56 -57.46 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -65.48 1.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.093 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -178.63 115.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t -71.76 -55.49 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.89 143.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -140.63 141.63 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.423 ' C ' HD12 ' A' ' 14' ' ' LEU . . . 128.31 143.8 5.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 54.55 3.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 12' ' ' GLY . 5.8 mp -93.74 -63.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -40.04 59.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.7 4.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.427 ' OG1' HG23 ' A' ' 64' ' ' THR . 98.6 m -104.88 119.81 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.7 m -122.75 161.05 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' HB2' ' A' ' 90' ' ' SER . 3.7 p -112.61 126.06 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 41' ' ' LEU . 77.5 t -89.57 145.96 6.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -156.95 139.78 15.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD22 HG12 ' A' ' 87' ' ' VAL . 3.2 mt -85.94 150.64 24.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.781 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.5 mt-30 -86.3 -41.03 14.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.451 ' O ' ' NE ' ' A' ' 85' ' ' ARG . 2.2 m -136.27 67.5 61.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 171.29 18.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.53 178.65 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.05 -41.59 92.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -34.94 70.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' CG ' ' HD3' ' A' ' 34' ' ' PRO . 0.5 OUTLIER -85.23 -44.76 12.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -48.54 -25.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -82.4 -37.49 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' GLU . 2.9 tt0 178.51 135.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.7 t80 -42.81 134.18 2.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.0 157.58 42.71 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -83.94 -13.53 53.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -83.73 -23.43 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 34' ' ' PRO . 74.0 mt -94.99 -47.72 6.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -37.63 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -40.69 -56.51 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 44' ' ' THR . 2.2 tm-20 -40.83 -38.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 20' ' ' VAL . 1.4 mp -82.53 -54.19 5.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 13.0 mmt -48.93 -37.02 18.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -83.46 -32.7 25.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -76.09 -74.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -49.36 -52.21 29.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' CA ' HG12 ' A' ' 51' ' ' ILE . . . -48.07 -26.91 4.83 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -57.38 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 0.78 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.904 ' OH ' HG11 ' A' ' 77' ' ' VAL . 40.2 m-85 -44.71 -35.4 2.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -136.07 -130.87 2.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.53 118.69 9.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 110.374 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG12 ' CA ' ' A' ' 46' ' ' GLY . 25.3 mm -64.11 97.93 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.585 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 12.0 t -80.76 -25.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.866 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -179.94 157.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.866 ' H ' HD13 ' A' ' 53' ' ' LEU . 18.8 m -141.04 142.51 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 106.31 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.412 HD11 ' CE ' ' A' ' 61' ' ' MET . 1.7 mt -88.27 139.6 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.592 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.7 t30 -106.54 160.33 15.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.592 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.2 mt-30 -20.93 -54.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.97 46.2 0.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG2' HG23 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -151.86 171.39 17.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.589 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 19.8 ttm -140.49 111.1 6.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.53 106.94 18.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -99.82 134.57 38.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.427 HG23 ' OG1' ' A' ' 17' ' ' THR . 30.8 m -115.9 136.96 52.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -122.04 174.41 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -94.33 -32.33 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -106.14 144.71 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.3 p -87.55 -32.12 19.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' SER . 2.5 m170 -61.47 -52.45 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' HIS . 39.9 p -39.57 -52.94 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.57 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -38.39 11.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.823 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -77.79 -52.87 8.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.731 HG12 HD13 ' A' ' 89' ' ' ILE . 61.7 t -54.62 -25.89 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 43.3 mt -71.2 -44.34 65.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 -20.74 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.904 HG11 ' OH ' ' A' ' 48' ' ' TYR . 48.0 t -85.88 -9.48 11.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.709 ' OD1' HD12 ' A' ' 89' ' ' ILE . 86.4 m-20 -40.19 -42.27 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.81 -28.02 0.4 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.452 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -49.83 164.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.99 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.49 141.23 46.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 HG13 ' A' ' 87' ' ' VAL . 3.1 m -120.74 128.34 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 mttm 60.84 18.06 8.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.99 -11.55 71.84 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' NE ' ' O ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -86.78 137.61 32.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -77.71 114.2 16.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 41' ' ' LEU . 9.6 m -98.64 145.85 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -136.82 151.08 48.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.731 HD13 HG12 ' A' ' 74' ' ' VAL . 3.0 mt -132.28 119.75 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HG13 ' A' ' 19' ' ' VAL . 23.7 m -104.13 -179.7 4.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.81 106.52 2.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HD3' HG12 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.98 -84.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -163.87 -172.03 2.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.1 p -79.37 160.89 26.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.007 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -178.57 91.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -97.61 -58.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -61.84 6.07 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -39.56 -58.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.982 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -40.9 -57.57 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.12 -62.5 4.41 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.4 t 57.98 84.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -87.47 -60.92 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 58.53 109.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 62.54 133.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.88 121.15 4.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 131.41 14.27 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -47.27 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 79.8 m-20 -42.54 -62.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 71.08 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 63' ' ' VAL . 51.7 m -110.84 141.77 43.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB1' ' A' ' 71' ' ' ALA . 27.7 m -135.06 143.72 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 60' ' ' GLN . 7.5 p -98.56 135.86 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 41' ' ' LEU . 70.2 t -108.27 142.45 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -151.61 150.4 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.5 150.44 20.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.784 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 25.3 mt-30 -88.61 -35.55 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -135.36 63.76 56.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.012 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.494 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -113.79 -160.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' H ' HG22 ' A' ' 26' ' ' THR . 1.7 mp -64.08 -56.37 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -40.87 -59.47 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.3 tm-20 -57.49 -44.12 84.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -52.72 -29.31 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -82.76 -44.34 15.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 177.77 137.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -42.1 128.71 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' HD2' ' CD1' ' A' ' 33' ' ' PHE . 18.3 Cg_endo -74.99 137.21 21.44 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -67.36 -26.27 66.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.44 -27.87 69.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 22.2 mt -89.81 -49.37 6.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.502 ' CD ' HD11 ' A' ' 56' ' ' ILE . 3.7 mtp180 -40.9 -61.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.2 m -44.3 -39.3 4.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.08 -32.7 63.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -75.6 -60.27 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.443 ' SD ' HG21 ' A' ' 54' ' ' VAL . 11.8 mmt -45.18 -60.4 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -53.36 -52.19 60.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -59.71 -71.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD22 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -45.25 -46.2 12.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -60.71 -45.84 95.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 t -41.08 -56.74 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.809 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 45.5 m-85 -43.83 -46.28 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -133.04 -121.21 2.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.07 147.98 34.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.1 mm -95.24 105.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 21.9 m -87.31 -23.83 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.882 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 178.04 149.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.882 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.8 142.28 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -142.61 111.93 6.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.502 HD11 ' CD ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -87.1 138.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -99.54 152.01 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.5 mt-30 -29.56 -42.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -143.43 45.77 0.87 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' HG2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -163.8 -179.38 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -145.99 104.63 3.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mp -99.16 110.51 23.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.642 HG13 HG23 ' A' ' 54' ' ' VAL . 48.2 t -100.33 138.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -111.28 143.33 42.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 52' ' ' VAL . 71.8 m-85 -121.51 -179.21 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -92.17 -39.51 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -111.29 164.89 12.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.4 p -90.95 -50.15 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -42.11 -43.47 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -61.59 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -48.75 -48.78 40.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.11 -58.68 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.427 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -54.66 -49.18 71.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.641 ' CG1' HD22 ' A' ' 45' ' ' LEU . 82.3 t -60.61 -23.92 30.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' ALA . 30.0 mt -83.09 -21.68 33.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.1 -51.16 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.809 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -73.41 -10.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.853 ' HB2' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -39.65 -44.33 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.63 -34.69 0.27 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.145 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.6 ptt? -39.55 160.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -117.38 144.8 44.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.9 t -123.29 128.85 75.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 37' ' ' LEU . 18.3 mttm 59.4 28.45 17.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.78 14.19 82.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -111.69 138.14 48.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -73.96 111.32 9.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 80' ' ' MET . 35.7 m -98.57 149.92 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -137.24 136.19 37.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.853 HD12 ' HB2' ' A' ' 78' ' ' ASP . 2.4 mp -123.56 120.24 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -111.74 -179.2 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -114.05 116.71 3.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 66.0 6.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -112.67 141.31 46.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.55 123.03 45.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.0 p -131.58 72.45 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.743 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.1 -59.98 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.5 -68.62 0.95 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 p -41.22 -55.71 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -40.96 -59.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.21 -61.37 2.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 t -146.5 103.95 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -89.01 -58.86 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -150.79 94.64 2.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.18 115.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.84 134.77 3.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.73 -46.79 30.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.1 p-10 -41.45 -52.26 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 75.15 72.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' CG2' HD23 ' A' ' 62' ' ' LEU . 24.2 m -132.66 144.32 50.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG11 ' HB1' ' A' ' 71' ' ' ALA . 28.3 m -144.22 154.9 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 90' ' ' SER . 33.1 t -108.62 125.36 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.595 HG11 ' CD2' ' A' ' 41' ' ' LEU . 55.1 t -107.49 139.05 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -143.01 169.43 17.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.6 mp -108.64 127.84 54.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.08 -51.38 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.63 71.54 77.64 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.02 150.16 37.66 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -85.06 175.45 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.375 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.65 -34.87 60.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.73 -26.23 65.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.0 mt-10 -92.17 -36.27 13.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -16.2 33.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -94.49 -51.41 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.88 139.94 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 3.5 t80 -50.66 130.06 27.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.64 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.87 21.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -32.12 73.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -63.21 -21.6 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.647 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.9 mt -94.06 -47.26 6.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.563 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -42.53 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.94 -39.61 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.431 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.93 -42.16 89.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.595 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -75.81 -60.19 2.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 12.7 mmt -37.0 -59.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 44' ' ' THR . 10.8 pt20 -59.19 -42.49 91.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 19.0 m -63.23 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD11 HD23 ' A' ' 41' ' ' LEU . 15.8 mt -53.47 -41.39 66.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' MET . . . -47.91 -43.41 23.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.74 -65.64 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.616 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.5 m-85 -38.11 -52.66 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.0 -121.21 2.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.99 118.93 3.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.91 107.45 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' HG22 ' A' ' 64' ' ' THR . 16.8 m -93.77 -20.42 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.6 tp 178.11 149.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.2 m -139.07 147.9 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -143.95 112.92 6.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.443 HD13 ' HG2' ' A' ' 61' ' ' MET . 1.3 mm -76.59 122.37 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.51 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -94.68 142.01 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' C ' ' O ' ' A' ' 57' ' ' ASN . 37.2 mt-30 -29.83 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.58 48.08 0.82 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.04 179.68 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.45 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -140.99 102.95 4.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 HD23 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -84.59 101.22 11.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.62 129.1 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 HG22 ' CG2' ' A' ' 52' ' ' VAL . 25.8 m -111.36 135.87 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -115.76 -174.26 2.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.46 -50.6 5.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.46 165.76 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.9 p -87.05 -47.71 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.931 ' HA ' HD23 ' A' ' 72' ' ' LEU . 1.6 m170 -54.3 -38.67 66.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.61 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.1 m -46.49 -51.53 15.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.982 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.7 -56.18 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.931 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -47.1 -43.03 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -62.71 -31.3 72.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' SER . 97.4 t -80.75 -30.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.9 mp -53.91 -22.93 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.32 -24.44 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 52.5 t -69.25 -8.29 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -38.13 -54.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -36.32 -33.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.48 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.6 ttp -38.94 140.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 80' ' ' MET . 8.2 mttt -122.93 126.11 46.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.647 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -109.89 118.65 57.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 37' ' ' LEU . 8.6 mttm 59.1 30.21 19.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.45 -11.31 59.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -84.22 125.98 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.06 123.25 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.53 HG21 HD21 ' A' ' 41' ' ' LEU . 10.8 p -98.61 169.93 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' H ' HG22 ' A' ' 87' ' ' VAL . 17.6 tttm -144.41 127.05 16.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 78' ' ' ASP . 3.1 mt -113.95 128.9 70.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -145.5 -175.01 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.28 -159.15 33.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 70.2 5.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.68 129.61 56.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.37 -59.45 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 89.64 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -96.74 -57.71 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.5 -59.54 2.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -40.19 -60.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -56.99 -58.38 8.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.47 -67.22 0.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.87 93.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -84.04 -56.04 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.26 120.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -168.87 131.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.75 156.56 9.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 111.4 3.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.56 -43.65 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.9 m-20 -43.72 -45.06 6.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 66.29 42.76 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.0 m -113.75 149.06 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 35.4 m -137.23 132.92 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.932 HG13 ' CD ' ' A' ' 60' ' ' GLN . 93.8 t -94.27 106.89 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG22 HG12 ' A' ' 89' ' ' ILE . 59.6 t -87.75 146.16 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.03 139.52 12.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.53 132.52 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -52.07 65.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.3 73.04 80.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.94 30.74 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.531 1.806 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 HG22 ' H ' ' A' ' 27' ' ' LEU . 1.1 m -77.03 -173.8 2.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' H ' HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -56.68 -39.42 73.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -68.23 -45.82 72.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.77 -11.77 60.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.3 OUTLIER -86.65 -27.57 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -40.03 14.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.59 144.36 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 2.6 t80 -57.79 131.42 82.69 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.501 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -75.01 132.49 15.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.27 -15.41 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.56 45.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HG2' ' A' ' 34' ' ' PRO . 35.4 mt -89.67 -29.93 18.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.1 mtp180 -58.3 -75.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 75.1 m -38.0 -48.49 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.75 -48.7 66.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 45' ' ' LEU . 6.8 tt -76.05 -61.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.735 ' HE2' HD22 ' A' ' 41' ' ' LEU . 30.0 mmt -36.25 -58.13 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.489 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.0 pt20 -61.61 -46.34 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.4 m -53.13 -57.57 10.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.03 HD22 HG13 ' A' ' 74' ' ' VAL . 66.6 mt -64.99 -18.99 65.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.16 -14.13 73.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -74.65 -51.55 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.788 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 34.2 m-85 -54.2 -54.32 41.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' HA3' ' CB ' ' A' ' 70' ' ' SER . . . -121.01 -130.0 3.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.3 123.29 9.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 63' ' ' VAL . 27.0 mm -74.89 106.25 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 3.0 m -93.67 -18.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD2' ' O ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -179.88 156.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 m -150.82 130.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.17 129.1 50.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.513 HD11 ' HD2' ' A' ' 38' ' ' ARG . 1.3 mt -102.64 140.55 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.601 ' O ' ' C ' ' A' ' 58' ' ' GLN . 57.9 t30 -111.21 161.13 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.601 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -19.12 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.85 50.28 0.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.932 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -155.42 169.51 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 110.278 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.512 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -147.77 100.06 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -95.18 123.08 38.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.241 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 HD12 ' A' ' 51' ' ' ILE . 38.3 t -104.12 147.94 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -117.04 148.13 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.465 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HG12 ' A' ' 63' ' ' VAL . 60.4 m-85 -130.6 163.66 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -82.09 -39.62 23.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.53 146.22 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 p -82.51 -12.83 57.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -71.15 -59.78 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HG23 ' A' ' 74' ' ' VAL . 50.8 p -47.14 -47.16 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -55.79 -52.74 62.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.95 -53.23 4.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -64.3 -47.87 77.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.03 HG13 HD22 ' A' ' 45' ' ' LEU . 40.7 t -56.1 -27.81 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.646 HD23 HG22 ' A' ' 89' ' ' ILE . 10.6 mt -71.82 -28.8 63.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -91.91 -28.85 17.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG12 ' SD ' ' A' ' 80' ' ' MET . 74.0 t -68.21 -21.84 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -40.68 -33.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.23 -26.73 2.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.841 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -52.69 173.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 111.002 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 2.8 mttt -135.9 135.65 39.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -103.4 112.97 38.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? 58.88 33.08 22.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.68 -11.08 62.7 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 120.66 25.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.251 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' HA ' ' CG ' ' A' ' 81' ' ' LYS . . . -68.81 119.69 13.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -105.47 158.27 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -138.22 145.81 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.646 HG22 HD23 ' A' ' 75' ' ' LEU . 30.9 mt -131.35 109.92 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.52 -173.08 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.83 -158.85 34.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -34.78 3.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.543 1.812 . . . . 0.0 111.049 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.0 p -124.82 -67.66 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -146.05 161.64 39.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.996 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -57.71 113.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.73 -58.49 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.93 -61.95 2.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.05 -58.38 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -58.83 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -65.12 2.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.79 79.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -58.56 -58.09 10.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 53.2 173.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.38 122.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.13 122.34 5.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 160.32 40.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 15' ' ' ASP . 4.7 mp -84.2 -51.89 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.5 m-20 -40.58 -57.0 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 74.93 43.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 ' OG1' HG23 ' A' ' 64' ' ' THR . 45.2 m -106.48 147.32 29.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.48 153.37 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 92' ' ' PRO . 97.2 t -98.09 144.7 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 41' ' ' LEU . 70.9 t -124.97 136.45 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' C ' HD12 ' A' ' 22' ' ' LEU . 29.9 m-80 -141.32 167.41 22.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 21' ' ' ASN . 9.4 mp -113.01 124.09 51.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.8 mm-40 -57.59 -63.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.3 m -123.27 75.24 51.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.94 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.515 1.798 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -86.89 169.8 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.449 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.32 -45.66 24.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -60.4 -40.64 91.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.88 -49.83 27.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -51.55 -37.7 50.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.46 -43.46 63.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.98 135.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.115 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 34' ' ' PRO . 1.5 t80 -45.54 135.28 5.92 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.59 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 156.1 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.811 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -85.45 -14.33 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -81.59 -24.83 36.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 34' ' ' PRO . 79.1 mt -94.55 -41.49 9.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NE ' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -41.68 -75.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.0 m -42.2 -49.31 4.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -54.99 -40.32 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -69.4 -55.88 9.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.6 mmt -45.79 -49.91 14.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' GLY . 39.2 mm-40 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 3.3 m -41.66 -49.24 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.442 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -73.89 -32.23 63.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -54.66 -53.57 38.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 46' ' ' GLY . 37.4 t -37.47 -63.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -42.25 -61.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -114.24 -121.56 3.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.1 m -158.24 114.02 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.408 HG23 HG13 ' A' ' 54' ' ' VAL . 20.1 mm -62.43 113.41 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 50' ' ' THR . 15.6 m -112.98 -9.25 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -176.11 148.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' HB ' ' CE ' ' A' ' 61' ' ' MET . 34.6 m -151.3 141.56 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.71 111.19 5.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.556 ' CD1' ' NE ' ' A' ' 38' ' ' ARG . 1.1 mt -81.18 135.51 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -100.12 148.41 24.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.517 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -29.72 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.0 48.3 0.87 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.25 -175.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.581 ' HE2' HG22 ' A' ' 63' ' ' VAL . 4.6 tpt -150.82 125.78 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' SD ' ' A' ' 61' ' ' MET . 3.8 mp -109.69 112.17 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG22 ' HE2' ' A' ' 61' ' ' MET . 46.4 t -104.59 134.95 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' OG1' ' A' ' 17' ' ' THR . 42.7 m -117.64 143.73 45.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -122.01 -175.61 3.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 -39.06 11.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.62 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.0 p -94.68 -49.38 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -40.56 -48.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.549 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 74' ' ' VAL . 4.8 m -52.79 -68.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -41.81 -34.71 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -53.05 42.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -53.37 -55.96 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 5.9 p -61.75 -34.62 63.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -54.7 -46.55 74.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.39 -56.92 4.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.789 HG12 ' SD ' ' A' ' 80' ' ' MET . 55.4 t -51.17 -22.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.901 ' HB2' HD12 ' A' ' 89' ' ' ILE . 4.6 p-10 -36.8 -37.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.07 -29.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.789 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.09 167.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -114.5 132.66 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.599 HG23 ' CG1' ' A' ' 87' ' ' VAL . 54.0 t -78.58 107.39 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.29 -68.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 82' ' ' VAL . . . -159.48 20.95 0.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -127.75 126.03 41.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -61.41 123.06 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.599 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.2 p -106.28 162.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 87' ' ' VAL . 22.1 tttm -145.13 115.77 7.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.901 HD12 ' HB2' ' A' ' 78' ' ' ASP . 3.2 mt -109.15 119.33 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -176.48 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -125.93 118.1 3.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.702 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.02 -40.64 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.552 1.817 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 m 61.88 76.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -59.31 109.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -110.08 120.97 44.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.035 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -95.09 -59.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.7 -69.12 0.92 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.05 -56.14 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -46.0 -59.92 2.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.47 -57.72 6.36 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.39 79.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.86 -61.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.7 t80 48.1 97.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -167.33 150.0 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.96 151.88 11.77 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.27 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.572 1.827 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -23.65 53.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.5 m-20 -71.1 -50.31 35.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 65' ' ' PHE . . . 66.98 58.62 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.2 m -109.02 145.73 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 71' ' ' ALA . 29.1 m -141.44 141.6 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 90' ' ' SER . 3.4 p -93.17 120.6 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.692 HG22 ' CG1' ' A' ' 89' ' ' ILE . 23.3 t -102.19 132.45 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -144.88 167.94 21.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 mp -105.57 129.11 53.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 6.4 mt-30 -61.87 -56.0 23.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.8 t -130.88 71.72 82.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.58 31.04 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 p -95.28 -176.95 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.53 -48.77 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.361 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -55.77 -27.54 51.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -91.31 -28.86 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -74.8 -12.05 60.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -98.82 -50.58 4.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -166.15 128.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 9.2 t80 -45.65 133.12 6.42 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.641 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 142.09 27.58 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.61 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -78.74 -13.87 59.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -12.93 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.7 mt -96.25 -55.96 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.61 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.4 ptt180 -52.47 -51.57 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 16.3 m -45.87 -25.08 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -91.79 -33.79 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 82' ' ' VAL . 0.7 OUTLIER -76.08 -48.64 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.601 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 22.0 mmt -47.7 -37.22 12.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -85.77 -48.23 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -52.56 -60.49 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD11 HD23 ' A' ' 41' ' ' LEU . 9.2 mt -63.86 -39.68 94.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.41 -14.2 40.44 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.72 -48.29 22.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.948 ' OH ' HG11 ' A' ' 77' ' ' VAL . 27.0 m-85 -54.16 -40.16 67.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.2 -135.47 3.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -136.93 115.97 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.459 HG23 HG13 ' A' ' 54' ' ' VAL . 24.7 mm -58.75 98.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 50' ' ' THR . 6.6 t -86.74 -19.98 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 177.57 157.04 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.665 ' H ' HD13 ' A' ' 53' ' ' LEU . 31.6 m -147.47 144.53 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.53 112.72 9.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' A' ' 61' ' ' MET . 10.3 mm -90.12 119.27 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -99.4 150.42 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mp0 -27.17 -46.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.22 47.54 0.85 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 19' ' ' VAL . 1.9 tt0 -161.05 169.94 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.601 ' SD ' ' HE1' ' A' ' 42' ' ' MET . 2.0 ttm -147.72 92.1 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mp -81.61 107.46 14.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.404 ' CG2' ' SD ' ' A' ' 61' ' ' MET . 93.6 t -100.24 133.93 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 87.5 m -115.82 148.03 40.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 72.3 m-85 -131.55 175.63 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.93 -40.48 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' O ' ' OG ' ' A' ' 70' ' ' SER . 86.9 m-20 -99.63 156.72 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.4 p -86.26 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -44.12 -36.27 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 67' ' ' ASP . 62.4 p -48.76 -37.32 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -73.61 -51.72 15.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.611 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -46.16 -48.74 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.81 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -53.79 -32.33 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.991 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 71' ' ' ALA . 73.3 t -83.49 -30.46 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.534 HD13 ' C ' ' A' ' 71' ' ' ALA . 10.8 mp -56.83 -28.44 61.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.74 -51.07 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.948 HG11 ' OH ' ' A' ' 48' ' ' TYR . 53.9 t -57.08 -18.35 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -44.13 -32.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.55 -21.7 3.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 87' ' ' VAL . 19.6 ptt? -60.45 150.01 32.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.34 133.37 53.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 41' ' ' LEU . 98.8 t -105.08 118.0 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? 59.05 31.61 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.75 -9.82 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -90.03 120.13 30.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -66.4 130.98 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 88' ' ' LYS . 2.2 p -110.68 164.22 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 87' ' ' VAL . 37.7 tttp -146.81 123.6 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.692 ' CG1' HG22 ' A' ' 20' ' ' VAL . 3.3 mp -117.08 112.86 40.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.576 ' O ' HG12 ' A' ' 19' ' ' VAL . 6.5 m -113.47 164.88 13.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.81 107.84 2.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.556 1.16 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.76 9.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.81 90.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 t -62.52 -59.73 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -135.14 103.66 5.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.15 -57.74 2.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.15 -46.22 2.43 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.54 -60.78 2.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -40.27 -54.01 2.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.64 -57.69 5.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -116.83 77.05 1.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 0.779 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -68.61 -59.96 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.88 -55.39 1.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -177.78 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.45 -138.56 32.38 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.531 1.144 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.94 36.06 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.45 1.763 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.46 -69.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 0.8 OUTLIER -90.14 -64.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 175.07 41.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 m -110.94 145.92 37.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.6 m -137.31 153.05 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG23 ' HG3' ' A' ' 92' ' ' PRO . 65.7 t -104.09 134.43 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG22 HG12 ' A' ' 89' ' ' ILE . 79.0 t -107.27 146.6 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -154.53 160.72 41.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD11 ' CD1' ' A' ' 37' ' ' LEU . 5.6 mt -107.8 129.92 55.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 2.6 mt-30 -63.97 -49.04 74.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.5 m -127.64 72.63 78.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.506 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.03 -172.38 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -132.2 -169.31 2.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 mp -57.58 -60.09 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -39.75 -55.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE1' ' CB ' ' A' ' 25' ' ' PRO . 4.8 tm-20 -61.15 -44.66 96.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -22.96 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -92.48 -50.38 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.69 136.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.0 OUTLIER -42.8 129.56 3.1 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.577 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.97 130.89 13.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.534 1.807 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 16.7 pt-20 -57.44 -49.54 75.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -43.87 -29.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD12 ' HG2' ' A' ' 34' ' ' PRO . 13.8 mt -87.39 -50.96 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 6.7 mtp180 -43.52 -63.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -43.07 -46.7 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -74.73 -60.54 2.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.3 mmt -44.05 -62.18 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' A' ' 44' ' ' THR . 13.9 pt20 -51.13 -44.02 61.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 8.4 m -68.17 -71.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD11 HD12 ' A' ' 41' ' ' LEU . 29.2 mt -44.79 -33.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -71.94 -49.14 23.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -38.98 -52.91 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.007 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.768 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 54.5 m-85 -48.73 -45.18 39.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 46' ' ' GLY . . . -132.15 -124.7 2.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.01 130.17 18.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mm -85.33 116.23 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.61 -18.31 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.4 154.02 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.6 m -150.42 125.76 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -117.99 115.22 24.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.518 HD11 ' HD2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -85.96 127.24 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.9 t-20 -103.77 151.49 22.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.61 ' C ' ' O ' ' A' ' 57' ' ' ASN . 42.8 mt-30 -17.66 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.63 42.6 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 67.8 mt-30 -159.79 104.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.471 ' CE ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -82.23 111.54 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' GLN . 4.7 mp -96.21 115.7 27.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.5 t -103.53 131.94 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.6 m -109.48 145.9 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.36 -177.49 4.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.88 -33.17 13.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -114.6 164.13 14.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.2 p -92.39 -49.46 6.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.429 ' CG ' ' N ' ' A' ' 70' ' ' SER . 23.9 p-80 -41.8 -50.01 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.59 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 69' ' ' HIS . 26.6 p -44.25 -50.26 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -56.24 -49.95 72.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.553 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -42.38 -58.14 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -56.34 -53.87 52.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG12 HD13 ' A' ' 89' ' ' ILE . 69.6 t -56.04 -21.5 11.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.949 HD23 HG22 ' A' ' 89' ' ' ILE . 25.7 mt -87.62 -25.25 23.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.31 -50.51 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -73.12 -10.11 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.7 p-10 -43.83 -32.17 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.85 -20.27 5.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -50.85 176.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 86' ' ' ALA . 11.9 mttt -128.54 136.62 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' A' ' 41' ' ' LEU . 39.8 t -111.5 123.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 57.35 40.03 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.95 10.12 55.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -110.18 122.77 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.15 121.37 11.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.488 HG22 ' H ' ' A' ' 88' ' ' LYS . 10.2 p -106.09 170.14 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' H ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -148.42 142.84 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.949 HG22 HD23 ' A' ' 75' ' ' LEU . 12.3 mt -134.21 122.66 41.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.2 -175.46 2.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.77 118.23 3.54 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.519 ' HG3' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 66.48 6.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.83 83.51 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.2 p -147.71 93.23 2.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.22 100.11 12.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.947 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.33 -58.53 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.85 -58.94 11.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -44.12 -58.3 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -59.08 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.21 -66.88 1.52 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.25 88.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -57.55 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 48.22 94.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -168.33 138.38 2.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.56 160.12 20.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.91 6.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' ASP . 10.1 mp -50.71 -51.29 51.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.619 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -40.5 -59.24 1.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 78.25 44.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.2 m -99.07 137.94 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG11 ' HB1' ' A' ' 71' ' ' ALA . 31.0 m -138.4 141.65 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG23 ' HD3' ' A' ' 92' ' ' PRO . 46.0 t -92.47 123.87 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.592 HG22 ' CG1' ' A' ' 89' ' ' ILE . 6.9 t -102.88 132.22 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -143.68 166.0 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 22' ' ' LEU . 24.0 mt -101.85 153.81 19.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 3.5 mt-30 -82.5 -55.69 4.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -130.19 73.36 81.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.2 42.18 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.54 -176.68 4.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.369 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.79 -44.91 86.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.18 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -56.82 -30.32 63.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HG3' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -88.86 -41.0 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.42 -20.97 22.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -88.73 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -163.85 135.81 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 61' ' ' MET . 17.0 t80 -47.18 135.44 8.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.721 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.06 135.43 18.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -71.6 -28.35 63.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.86 -12.0 61.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.3 mt -94.89 -60.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.618 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 16.0 ptt180 -50.61 -53.09 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 17.4 m -45.69 -24.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.454 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -93.86 -31.54 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.767 HD23 HD11 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -78.9 -47.94 15.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 30.7 mmt -46.05 -49.01 16.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.84 -48.1 22.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 16.1 m -53.69 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.767 HD11 HD23 ' A' ' 41' ' ' LEU . 51.0 mt -51.17 -35.67 37.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' SER . . . -57.37 -52.76 49.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 48' ' ' TYR . 4.4 m -38.27 -63.22 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CE2' HG11 ' A' ' 77' ' ' VAL . 96.0 m-85 -37.24 -52.84 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -130.05 -119.44 2.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.4 123.15 7.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 110.413 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.512 HG23 HG13 ' A' ' 54' ' ' VAL . 6.4 mm -72.38 108.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 16.5 m -94.02 -14.09 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.892 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 171.04 148.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.892 ' H ' HD22 ' A' ' 53' ' ' LEU . 13.4 m -143.04 148.23 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -134.39 112.97 11.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.8 mm -89.52 115.06 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.561 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.2 t30 -100.63 148.59 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.561 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -24.2 -57.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.57 51.59 0.85 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -167.6 169.17 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.599 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 2.8 ttm -149.98 96.17 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.94 105.9 13.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 54' ' ' VAL . 69.2 t -98.84 128.03 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.8 m -111.38 142.52 43.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 81.4 m-85 -122.5 -179.55 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -94.24 -34.98 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 165.64 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.9 p -90.4 -48.21 7.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.982 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -42.26 -50.56 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 p -41.75 -62.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -42.23 -54.01 3.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.05 -58.95 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.586 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -56.86 -42.5 79.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HA ' HG12 ' A' ' 77' ' ' VAL . 75.5 t -67.64 -15.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 89' ' ' ILE . 87.8 mt -91.56 -35.31 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.74 -41.39 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 73' ' ' SER . 7.5 p -70.06 -7.64 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 77' ' ' VAL . 8.0 m-20 -36.47 -50.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 78' ' ' ASP . . . -36.18 -33.35 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -38.6 151.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.969 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -120.09 125.5 48.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.545 HG22 HD22 ' A' ' 37' ' ' LEU . 1.8 p -108.34 117.46 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt 58.98 35.74 24.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.248 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.29 0.49 57.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -102.01 125.06 48.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -71.06 130.22 40.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 1.5 p -99.52 163.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.7 OUTLIER -146.52 113.76 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.592 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -112.06 115.96 51.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.1 m -110.9 174.83 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.17 119.37 3.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 -58.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 92' ' ' PRO . 3.0 p 165.83 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 169.61 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p 41.4 81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -58.45 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.84 -59.27 8.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -40.03 -58.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 110.036 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -39.94 -57.97 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -40.63 -69.58 0.47 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.25 83.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 0.0 110.009 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 t -96.1 -58.34 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 38.1 91.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 58.28 162.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 178.04 157.53 19.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.26 42.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' OG ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -84.58 -69.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 22.5 m-20 -89.35 -64.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 176.53 42.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.8 m -114.61 139.12 49.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -137.92 142.71 35.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.863 HG21 ' OE1' ' A' ' 60' ' ' GLN . 3.5 p -99.03 128.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.868 HG11 ' CD2' ' A' ' 41' ' ' LEU . 63.7 t -104.51 126.87 59.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.532 ' C ' HD12 ' A' ' 22' ' ' LEU . 1.4 m-20 -134.46 173.35 11.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 21' ' ' ASN . 10.7 mp -119.39 132.55 55.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.75 -32.72 63.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.403 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 0.4 OUTLIER -137.13 64.74 48.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.428 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.2 Cg_endo -75.0 145.61 31.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -84.4 171.69 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mt -41.07 -51.23 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -54.06 -47.32 71.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' OE1' HD23 ' A' ' 22' ' ' LEU . 1.3 mt-10 -69.17 -31.47 70.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -68.15 -18.7 64.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -95.18 -42.19 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -177.24 140.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -45.32 135.87 5.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.02 133.32 16.41 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -66.61 -22.37 66.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -30.11 65.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD22 ' CG2' ' A' ' 82' ' ' VAL . 15.4 mt -85.81 -40.77 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CD ' HD11 ' A' ' 56' ' ' ILE . 5.2 mtp180 -43.76 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -42.76 -51.32 5.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -50.85 -35.79 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.868 ' CD2' HG11 ' A' ' 20' ' ' VAL . 3.7 mp -82.63 -54.4 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.402 ' CE ' ' HE3' ' A' ' 61' ' ' MET . 21.0 mmt -48.98 -33.45 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 -33.24 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.487 HG22 HD23 ' A' ' 45' ' ' LEU . 3.2 m -73.86 -63.34 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.0 mt -59.91 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -55.75 -39.53 76.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -59.5 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -43.2 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.43 -131.59 6.89 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.38 120.84 12.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.41 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG23 HG13 ' A' ' 54' ' ' VAL . 24.1 mm -59.41 97.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 66' ' ' ALA . 14.1 t -81.98 -22.85 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 171.19 151.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG13 HG23 ' A' ' 51' ' ' ILE . 16.6 m -142.9 128.49 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.08 119.09 29.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.459 HD11 ' CD ' ' A' ' 38' ' ' ARG . 17.3 mt -86.22 148.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' C ' ' A' ' 58' ' ' GLN . 61.8 t30 -124.96 151.52 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.609 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.8 mt-30 -18.97 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -140.82 51.51 0.71 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.863 ' OE1' HG21 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -160.41 168.74 24.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.61 116.02 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mp -101.06 107.9 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.74 125.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.4 m -110.63 148.14 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -131.99 171.55 13.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . . . -88.3 -46.94 8.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 149.88 21.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 82.0 p -89.22 -46.51 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.38 -27.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.614 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 m -71.69 -61.38 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.493 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -47.31 -25.46 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -68.72 -58.96 3.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.52 -57.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.051 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.7 p -57.39 -34.27 45.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' CG ' ' O ' ' A' ' 71' ' ' ALA . 8.1 mt -64.42 -26.46 68.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.02 -37.73 14.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 55.3 t -79.76 -9.51 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.759 ' HA ' HD12 ' A' ' 89' ' ' ILE . 1.3 p-10 -39.27 -45.74 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' CG ' ' A' ' 78' ' ' ASP . . . -38.27 -29.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 87' ' ' VAL . 3.0 ptt? -39.84 150.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -112.44 135.43 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.611 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -119.52 125.95 74.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 59.26 33.86 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.54 57.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -102.04 135.52 43.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.05 126.92 31.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 80' ' ' MET . 2.4 p -102.82 164.52 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 87' ' ' VAL . 11.2 tttm -143.15 114.93 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.7 mt -106.78 115.57 48.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.23 -165.37 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.76 108.96 0.9 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -25.88 11.35 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.511 ' OG ' HD12 ' A' ' 14' ' ' LEU . 16.0 t 69.25 -72.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.4 p -157.09 163.3 39.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 m 59.52 108.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.05 -56.26 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.35 -52.72 3.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -43.87 -46.15 7.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.0 p -79.31 -57.74 3.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.009 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.19 -64.34 0.82 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.7 m -157.68 79.62 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.972 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -58.16 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -154.45 -55.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 39.68 80.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.05 123.25 3.75 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.0 -52.07 4.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.588 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -40.48 -57.96 1.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 76.49 41.47 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 86.0 m -101.48 142.64 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.39 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.693 HG11 ' HB1' ' A' ' 71' ' ' ALA . 17.4 m -140.25 150.51 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.417 HG22 ' HG ' ' A' ' 62' ' ' LEU . 47.4 t -99.96 134.21 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.871 HG11 ' CD2' ' A' ' 41' ' ' LEU . 54.8 t -120.61 132.96 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -136.06 166.24 23.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HG3' ' A' ' 29' ' ' GLU . 72.9 mt -106.45 131.14 53.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.41 -41.84 93.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.9 m -135.48 72.74 64.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.7 24.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' H ' ' A' ' 27' ' ' LEU . 85.6 m -111.7 174.8 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.155 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' H ' HG22 ' A' ' 26' ' ' THR . 2.9 mp -44.24 -58.79 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.75 -56.03 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.7 ' HG3' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -63.79 -50.17 70.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.99 -29.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 29' ' ' GLU . 2.6 m-20 -88.94 -47.61 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.4 OUTLIER -169.25 136.14 1.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -41.04 129.1 2.01 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.637 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.95 136.13 20.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 38' ' ' ARG . 3.3 mt-10 -60.26 -45.83 91.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.65 -24.84 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.5 mt -92.32 -52.56 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.572 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -37.91 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.7 m -40.85 -50.38 3.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -40.67 34.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -80.49 -57.84 3.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.69 -44.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 44' ' ' THR . 17.1 pt20 -74.87 -45.11 45.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' HG3' ' A' ' 43' ' ' GLN . 18.4 m -54.85 -69.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -57.67 -45.93 84.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -45.55 -39.58 7.96 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.15 -62.54 1.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.701 ' CD1' HG12 ' A' ' 74' ' ' VAL . 71.4 m-85 -37.91 -52.2 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -123.12 -124.56 2.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.61 125.71 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mm -72.87 99.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.604 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 20.0 m -85.79 -20.67 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp 178.27 154.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.2 151.52 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.92 119.77 5.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.585 HG13 ' HE1' ' A' ' 61' ' ' MET . 6.6 mt -86.6 138.14 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -100.9 153.48 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.595 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.0 mm-40 -21.54 -52.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -142.01 48.44 0.79 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -160.42 176.96 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.585 ' HE1' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -133.51 106.94 7.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.417 ' HG ' HG22 ' A' ' 19' ' ' VAL . 1.2 mp -97.43 102.35 14.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.36 131.39 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.3 m -109.86 141.0 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 52' ' ' VAL . 84.9 m-85 -123.02 -174.12 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.604 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -96.1 -38.48 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.07 169.87 8.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.0 p -93.72 -48.91 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' LEU . 2.7 m170 -43.21 -55.6 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.599 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.6 p -42.46 -63.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.693 ' HB1' HG11 ' A' ' 18' ' ' VAL . . . -60.86 -24.84 66.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -69.25 -46.95 66.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.497 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -62.0 -65.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.989 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 48' ' ' TYR . 22.8 m -45.98 -31.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.944 HD23 HG22 ' A' ' 89' ' ' ILE . 10.9 mt -67.31 -43.82 80.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . 0.6 OUTLIER -78.24 -54.16 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 74' ' ' VAL . 8.0 p -69.1 -7.88 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.2 p-10 -34.94 -36.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' VAL . . . -38.52 -29.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.46 ' O ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -44.63 170.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 111.024 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -126.78 149.99 49.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.667 HG11 HD12 ' A' ' 41' ' ' LEU . 85.7 t -119.91 120.7 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 32.37 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.59 -3.18 64.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.47 139.57 30.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.87 121.52 24.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 41' ' ' LEU . 11.9 p -103.66 167.96 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 87' ' ' VAL . 2.8 tptp -148.68 106.53 3.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.944 HG22 HD23 ' A' ' 75' ' ' LEU . 5.1 mp -103.28 124.68 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.39 -175.26 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -91.17 -160.3 36.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 63.16 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.7 p -82.74 149.12 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -165.3 85.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.06 81.78 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.066 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.67 -58.14 3.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.65 -59.34 10.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -40.93 -58.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -59.3 5.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.61 -61.89 2.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t 56.32 85.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -53.78 -55.64 24.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.6 t80 41.85 93.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -107.46 78.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.68 120.8 24.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.34 5.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.16 97.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.649 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -44.79 -63.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 80.79 41.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.9 m -95.88 145.42 25.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.374 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.84 ' CG2' HG13 ' A' ' 63' ' ' VAL . 9.7 m -140.43 149.75 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.575 HG23 ' HD3' ' A' ' 92' ' ' PRO . 86.9 t -103.06 138.81 25.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 HD21 ' A' ' 41' ' ' LEU . 92.4 t -116.64 142.78 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -151.13 156.94 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 29' ' ' GLU . 25.1 mt -101.32 126.78 48.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 1.5 mt-30 -63.49 -59.9 4.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.11 74.49 79.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.4 Cg_endo -74.97 165.26 31.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.774 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.2 p -99.43 -174.03 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.414 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mp -52.46 -60.47 3.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -43.72 -46.42 7.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' CD1' ' A' ' 22' ' ' LEU . 1.9 mt-10 -69.35 -48.25 61.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -51.08 -24.93 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -85.74 -44.7 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -178.42 145.35 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 38' ' ' ARG . 1.1 t80 -53.49 128.1 50.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.2 Cg_endo -75.07 137.07 21.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -16.64 64.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.91 -26.57 60.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 34' ' ' PRO . 60.9 mt -93.1 -44.77 8.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 7.3 mtp180 -43.85 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.2 m -49.64 -36.93 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.374 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.2 OUTLIER -70.68 -22.41 62.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD21 HG21 ' A' ' 20' ' ' VAL . 3.9 tt -89.24 -61.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 61' ' ' MET . 11.3 mmt -47.59 -42.88 24.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.461 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.7 pt20 -73.19 -44.89 59.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -51.81 -51.8 53.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.929 HD22 HG13 ' A' ' 74' ' ' VAL . 12.0 mt -70.49 -23.55 62.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.28 -30.66 58.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 m -69.3 -43.76 73.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.637 ' CZ ' HG11 ' A' ' 77' ' ' VAL . 43.0 m-85 -60.8 -59.83 4.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -114.64 -118.17 3.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -161.87 120.88 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.396 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.32 111.16 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.26 -13.15 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 tp 173.4 142.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -132.78 151.24 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.26 116.79 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 61' ' ' MET . 0.7 OUTLIER -81.78 142.42 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.4 m-20 -102.42 145.73 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.2 mm-40 -30.31 -49.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.85 50.12 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 179.6 -171.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 110.309 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.467 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 5.2 tpt -147.44 116.49 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.427 HD11 ' ND2' ' A' ' 57' ' ' ASN . 2.9 mp -103.29 120.59 41.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.84 HG13 ' CG2' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -117.48 132.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 58.5 m -106.63 141.46 37.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 50' ' ' THR . 21.8 m-85 -116.81 -171.73 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.55 -35.28 9.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.7 163.96 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.2 p -93.34 -46.83 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.948 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -44.28 -38.0 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.586 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.831 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.8 OUTLIER -63.33 -47.68 81.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -58.45 -50.37 73.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -49.02 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.88 -45.28 64.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.929 HG13 HD22 ' A' ' 45' ' ' LEU . 55.9 t -60.03 -17.56 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 HD23 HG22 ' A' ' 89' ' ' ILE . 21.6 mt -90.78 -17.39 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -92.08 -52.89 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 48' ' ' TYR . 1.9 p -69.35 -9.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.807 ' HA ' HD12 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -43.43 -36.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' MET . . . -48.43 -22.18 2.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.405 ' O ' ' O ' ' A' ' 79' ' ' GLY . 3.1 ptt? -45.59 172.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.48 131.62 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.51 112.77 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.8 mttm 58.1 33.05 22.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.05 -14.74 52.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.78 117.48 22.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -60.73 123.98 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 88' ' ' LYS . 14.5 p -113.82 169.75 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' N ' HG22 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 78' ' ' ASP . 5.5 mt -127.68 123.7 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.43 -176.02 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.34 125.86 3.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.575 ' HD3' HG23 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.93 -68.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.3 t -176.71 -62.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.65 82.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -166.58 96.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 -57.91 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.4 -58.76 2.01 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 p -40.34 -42.65 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.006 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -59.24 -50.43 74.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.43 -68.12 1.84 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 84.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.781 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.44 -61.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 50.86 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -120.8 141.85 50.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.02 146.91 15.41 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.809 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -93.47 -65.32 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.2 -33.11 56.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.19 -57.08 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.724 ' OG1' HG23 ' A' ' 64' ' ' THR . 84.9 m -89.89 138.18 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.9 m -141.11 160.47 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.996 HG22 ' CD1' ' A' ' 62' ' ' LEU . 48.9 t -108.28 134.5 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG11 ' HE1' ' A' ' 61' ' ' MET . 78.6 t -113.98 141.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -150.86 166.52 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.4 mt -100.45 131.66 46.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.86 -48.41 71.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' CZ ' ' A' ' 85' ' ' ARG . 2.5 p -130.64 71.73 82.2 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 152.05 40.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -96.71 178.57 5.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.98 -46.38 68.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -56.37 -34.77 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 -36.86 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -60.38 -23.09 64.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -82.5 -44.77 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -178.2 136.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -46.03 131.85 7.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.695 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 130.96 13.8 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 9.2 pt-20 -66.77 -21.0 66.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -13.79 60.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.695 HD12 ' HG2' ' A' ' 34' ' ' PRO . 9.6 mt -95.49 -60.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 9.4 ptt180 -51.66 -53.66 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 53.0 m -44.63 -29.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.79 -33.02 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.853 HD23 ' HE1' ' A' ' 61' ' ' MET . 0.8 OUTLIER -75.03 -52.77 10.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.499 ' SD ' HG21 ' A' ' 54' ' ' VAL . 15.4 mmt -43.83 -54.44 5.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -65.23 -36.66 84.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 m -66.51 -66.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD21 ' HE1' ' A' ' 80' ' ' MET . 6.1 mt -53.97 -36.18 62.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -57.04 -41.83 92.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -63.23 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -39.86 -42.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.167 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.62 -116.0 1.6 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.78 127.19 2.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.53 HD12 HG13 ' A' ' 63' ' ' VAL . 24.5 mm -78.63 98.84 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' CG1' ' HB2' ' A' ' 66' ' ' ALA . 10.7 m -84.15 -22.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 54' ' ' VAL . 1.3 tp -174.43 130.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.499 HG21 ' SD ' ' A' ' 42' ' ' MET . 12.8 p -123.29 144.39 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -148.28 108.05 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' HD2' ' A' ' 38' ' ' ARG . 1.4 mt -93.47 134.49 31.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.8 t30 -106.67 154.98 20.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 57' ' ' ASN . 2.2 tt0 -28.35 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.42 49.43 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.27 169.0 21.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.853 ' HE1' HD23 ' A' ' 41' ' ' LEU . 6.8 ttt -147.74 91.89 2.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.996 ' CD1' HG22 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -85.83 114.9 23.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 109.374 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.53 HG13 HD12 ' A' ' 51' ' ' ILE . 70.6 t -111.49 129.27 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.724 HG23 ' OG1' ' A' ' 17' ' ' THR . 6.9 m -105.66 126.77 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -110.75 157.81 19.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.634 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . . . -85.2 -32.9 22.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 69' ' ' HIS . 93.8 m-20 -105.65 124.81 50.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 p -64.66 -32.95 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.958 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 67' ' ' ASP . 16.4 p-80 -68.58 -45.65 71.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.656 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.8 t -42.83 -46.07 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.592 ' C ' HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -47.45 -51.45 20.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.454 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -67.9 -57.06 6.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 70' ' ' SER . 58.4 t -49.24 -27.22 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.705 HD23 HG22 ' A' ' 89' ' ' ILE . 23.1 mt -71.49 -62.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -61.86 -21.99 65.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG12 ' SD ' ' A' ' 80' ' ' MET . 6.3 t -81.64 -10.39 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 38.5 p-10 -43.6 -35.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' A' ' 78' ' ' ASP . . . -48.91 -22.2 2.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.688 ' HE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.53 167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -135.43 126.77 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.612 HG22 HD22 ' A' ' 37' ' ' LEU . 1.5 p -110.64 120.08 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mttp 57.65 38.64 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.14 9.46 63.68 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.497 ' CZ ' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -104.62 127.07 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -75.74 123.67 25.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 88' ' ' LYS . 1.6 p -104.78 164.77 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 87' ' ' VAL . 5.6 tttt -141.72 131.7 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.705 HG22 HD23 ' A' ' 75' ' ' LEU . 3.6 mp -124.53 117.09 49.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.96 -173.12 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.56 120.66 2.6 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.7 m 60.5 70.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.45 -56.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.9 80.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -82.42 -60.66 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.28 -59.83 7.88 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.45 -57.84 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.979 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -58.8 2.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.46 -58.22 14.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.63 78.48 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -52.35 -60.59 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.96 124.27 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -98.69 136.43 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.94 156.16 15.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.39 42.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.85 -44.34 27.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -41.63 -61.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 15' ' ' ASP . . . 83.89 31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' HG23 ' A' ' 64' ' ' THR . 99.5 m -94.49 144.27 25.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 65' ' ' PHE . 19.1 m -146.18 147.23 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG11 HE21 ' A' ' 60' ' ' GLN . 15.8 t -103.64 135.68 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 41' ' ' LEU . 24.7 t -110.97 135.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -137.28 164.89 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 25' ' ' PRO . 41.4 mt -104.29 151.62 23.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.413 1.07 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.67 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 5.7 mt-30 -89.48 -33.06 16.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t -142.84 67.07 17.96 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.03 -168.91 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 p -131.82 -168.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.15 -34.83 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -36.19 79.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' CD ' ' CB ' ' A' ' 25' ' ' PRO . 0.3 OUTLIER -85.48 -45.7 11.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.88 -25.46 0.77 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' N ' ' C ' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -89.95 -53.75 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -157.1 126.85 6.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 26.4 t80 -37.87 140.23 0.56 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.782 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.99 134.88 18.35 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HA ' ' CD ' ' A' ' 38' ' ' ARG . 2.0 pm0 -74.5 -28.49 61.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -69.73 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 HD12 ' HG2' ' A' ' 34' ' ' PRO . 7.7 mt -95.49 -62.2 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' A' ' 35' ' ' GLU . 19.9 ptt180 -46.79 -53.18 12.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 54.6 m -46.46 -27.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.0 OUTLIER -88.02 -33.45 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.326 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.641 ' CD2' HG11 ' A' ' 20' ' ' VAL . 1.5 mp -75.77 -53.11 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 54' ' ' VAL . 19.3 mmt -47.37 -32.94 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -88.73 -40.54 13.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 22.2 m -63.89 -58.47 6.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.93 -39.38 91.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -47.57 -24.69 2.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -63.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' CE1' HG21 ' A' ' 77' ' ' VAL . 30.9 m-85 -42.13 -40.38 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -139.76 -117.17 1.42 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.07 127.63 3.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.504 HD12 ' CG1' ' A' ' 63' ' ' VAL . 29.2 mm -78.3 100.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 m -82.25 -25.7 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.92 141.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG21 ' SD ' ' A' ' 42' ' ' MET . 10.1 p -134.58 145.91 31.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -142.84 134.77 26.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -92.06 123.0 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.547 ' O ' ' C ' ' A' ' 58' ' ' GLN . 1.0 OUTLIER -92.48 141.55 28.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.547 ' C ' ' O ' ' A' ' 57' ' ' ASN . 3.8 mm100 -26.79 -46.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.53 47.59 0.84 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.438 HE21 HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -170.16 178.86 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.45 ' HE1' HG12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -134.91 107.99 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.06 98.58 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' HD12 ' A' ' 51' ' ' ILE . 14.8 t -102.19 129.31 53.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 17' ' ' THR . 19.6 m -108.29 147.93 30.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.415 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HE2' HG21 ' A' ' 18' ' ' VAL . 57.2 m-85 -122.07 -178.82 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.12 -43.56 8.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -105.46 162.67 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 95.9 p -86.34 -58.56 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.813 ' HA ' HD23 ' A' ' 72' ' ' LEU . 12.9 p-80 -46.33 -44.96 17.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.645 ' O ' HG23 ' A' ' 74' ' ' VAL . 28.4 m -44.82 -42.35 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -72.94 -46.5 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -41.84 -47.88 4.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -67.64 -46.28 72.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 70' ' ' SER . 91.9 t -60.17 -25.25 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.815 HD23 HG22 ' A' ' 89' ' ' ILE . 86.9 mt -70.89 -45.95 63.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.04 -38.74 43.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.655 HG21 ' CE1' ' A' ' 48' ' ' TYR . 1.6 t -58.45 -17.43 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.72 ' HA ' HD12 ' A' ' 89' ' ' ILE . 15.2 p-10 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 77' ' ' VAL . . . -44.08 -29.86 1.66 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.429 ' SD ' HG12 ' A' ' 77' ' ' VAL . 7.0 ptt? -52.45 161.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -122.86 132.69 54.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -111.84 120.34 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.91 41.44 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.87 10.45 50.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -107.39 131.63 54.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 23' ' ' GLN . . . -74.55 125.15 28.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 88' ' ' LYS . 0.9 OUTLIER -99.68 161.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -142.3 106.11 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.815 HG22 HD23 ' A' ' 75' ' ' LEU . 4.0 mt -98.64 110.42 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.49 178.98 4.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.039 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.55 -159.78 28.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -165.1 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.3 p -106.52 140.67 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -117.4 152.4 35.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m 40.85 89.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 0.743 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -95.44 -55.73 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.09 -58.77 4.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -42.69 -56.59 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 110.037 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -57.72 11.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.43 -64.88 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.3 82.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.8 t -96.17 -59.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 54.34 94.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.17 166.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 -160.87 34.56 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 163.29 35.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 93' ' ' SER . 1.8 mt -94.11 -69.61 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 15.8 t70 -88.22 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 15' ' ' ASP . . . 174.2 40.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.7 m -114.37 148.85 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.96 139.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG12 ' HD3' ' A' ' 92' ' ' PRO . 13.0 p -95.63 124.79 48.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.807 HG22 HG12 ' A' ' 89' ' ' ILE . 2.8 t -103.18 136.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.47 131.67 11.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.77 148.58 51.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.73 -57.75 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' NH1' ' A' ' 85' ' ' ARG . 96.0 p -128.31 70.91 79.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 154.0 42.15 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.432 1.754 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 28' ' ' GLU . 11.0 t -87.69 -156.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 4.2 mp -75.97 -36.31 59.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.711 ' H ' HG23 ' A' ' 26' ' ' THR . 0.0 OUTLIER -67.01 -22.59 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 25' ' ' PRO . 2.5 mt-10 -95.62 -35.13 11.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -25.51 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.04 -47.97 14.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.26 126.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CE2' ' HE3' ' A' ' 61' ' ' MET . 2.4 t80 -40.08 130.88 1.59 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.502 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -75.04 132.26 15.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.97 -41.75 98.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -52.08 -29.18 20.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD12 ' HG2' ' A' ' 34' ' ' PRO . 12.2 mt -87.15 -53.2 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 8.0 mtp180 -38.01 -68.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.3 m -38.59 -58.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -42.06 -38.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -80.88 -55.31 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE1' ' SD ' ' A' ' 61' ' ' MET . 11.7 mmt -41.08 -48.78 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 44' ' ' THR . 12.5 pt20 -72.37 -46.69 54.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 3.6 m -57.06 -67.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 41' ' ' LEU . 41.3 mt -56.55 -20.17 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLY . . . -58.57 -54.87 34.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.45 -56.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' OH ' HG21 ' A' ' 77' ' ' VAL . 95.1 m-85 -50.11 -48.41 53.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 111.059 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 46' ' ' GLY . . . -113.07 -136.23 6.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.572 ' O ' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -151.01 19.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.416 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 50' ' ' THR . 27.9 mm 36.08 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 66' ' ' ALA . 3.0 t -84.8 -18.27 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' H ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER 177.48 152.79 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.546 ' H ' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -131.34 146.99 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.19 107.16 3.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLN . 17.7 mt -93.1 142.9 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' O ' ' C ' ' A' ' 58' ' ' GLN . 29.1 t30 -112.9 160.17 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.58 ' C ' ' O ' ' A' ' 57' ' ' ASN . 5.6 mt-30 -21.38 -54.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -139.55 50.33 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -156.18 167.68 29.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.813 ' HE3' ' CE2' ' A' ' 33' ' ' PHE . 6.8 ttm -141.49 91.61 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.74 108.81 18.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.22 137.17 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -112.16 152.22 28.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -132.42 172.56 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HG21 ' A' ' 52' ' ' VAL . . . -83.61 -37.74 22.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.0 141.8 42.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.9 p -79.42 -36.84 38.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -54.86 -55.06 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 m -42.48 -48.84 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.58 -58.76 5.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HA ' HD13 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -49.16 -38.4 25.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 45' ' ' LEU . 61.2 t -87.92 -27.28 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 72' ' ' LEU . 7.3 mp -55.64 -39.63 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.81 -24.38 28.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG21 ' OH ' ' A' ' 48' ' ' TYR . 0.4 OUTLIER -79.53 -8.85 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' MET . 16.9 m-20 -37.71 -43.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -37.96 -29.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.4 ttp -41.4 146.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -128.13 149.84 50.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.718 HG21 ' CD1' ' A' ' 41' ' ' LEU . 80.7 t -127.29 117.23 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.02 24.49 13.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.73 -13.98 66.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -82.85 116.58 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.33 119.84 17.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.18 145.29 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.25 121.14 38.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.807 HG12 HG22 ' A' ' 20' ' ' VAL . 3.4 mt -115.9 105.29 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.4 m -107.85 178.79 4.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.91 102.85 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.524 ' HD3' HG12 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.04 -59.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.47 ' HB2' HD12 ' A' ' 14' ' ' LEU . 80.5 p -177.84 -172.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.2 p -52.53 -52.62 53.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -112.23 131.6 55.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -58.07 2.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.021 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.05 -64.32 3.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.97 -57.67 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -56.46 -58.36 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.6 -60.98 1.65 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -149.26 109.56 4.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -88.42 -58.11 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.9 t80 52.72 88.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 179.46 98.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.62 134.93 8.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.8 mt -46.26 -47.9 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -44.76 -45.05 9.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 64' ' ' THR . . . 64.85 71.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.4 m -135.7 143.85 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' HB ' ' CG2' ' A' ' 89' ' ' ILE . 11.6 m -138.26 142.32 35.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG22 HD12 ' A' ' 62' ' ' LEU . 22.1 t -94.54 95.86 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' CG1' ' A' ' 89' ' ' ILE . 53.7 t -80.38 121.27 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -123.22 175.78 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.67 HD13 ' OE1' ' A' ' 29' ' ' GLU . 20.9 mt -118.1 143.13 46.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 86' ' ' ALA . 2.2 mt-30 -70.46 -64.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.78 76.77 56.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.409 ' HA ' ' OE1' ' A' ' 29' ' ' GLU . 18.3 Cg_endo -75.0 156.46 42.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -102.18 -168.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.43 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 1.1 mp -48.91 -69.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' LEU . 5.3 pt-20 -37.03 -55.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.67 ' OE1' HD13 ' A' ' 22' ' ' LEU . 4.4 mt-10 -60.15 -46.6 89.11 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -30.57 56.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -86.73 -46.54 9.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.88 133.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 61' ' ' MET . 2.2 t80 -37.72 136.78 0.72 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HG2' HD12 ' A' ' 37' ' ' LEU . 18.3 Cg_endo -74.98 159.55 41.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -85.84 -17.71 34.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.95 -24.24 44.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 34' ' ' PRO . 76.4 mt -95.14 -46.05 6.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -38.22 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' ARG . 16.2 m -37.66 -66.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 110.39 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -41.42 -44.04 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.687 HD21 HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -70.04 -54.76 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.683 ' SD ' HG21 ' A' ' 54' ' ' VAL . 28.8 mmt -49.55 -41.31 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -78.47 -42.16 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -55.82 -58.08 9.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD12 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -70.02 -42.06 73.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -50.74 -42.35 45.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.0 t -39.85 -63.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.64 ' OH ' HG11 ' A' ' 77' ' ' VAL . 69.8 m-85 -38.33 -56.0 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -126.17 -117.9 2.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 148.27 27.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 25.1 mm -88.84 103.72 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 64' ' ' THR . 18.9 m -85.76 -24.76 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 179.71 148.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.85 ' H ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -135.82 147.34 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.486 1.117 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -141.26 107.45 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.84 152.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -133.13 146.26 51.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -26.73 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . -141.32 47.77 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.35 178.34 6.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.591 ' CE ' ' CE ' ' A' ' 42' ' ' MET . 13.8 ttp -154.47 93.98 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 HG22 ' A' ' 19' ' ' VAL . 1.5 mm? -77.61 102.61 7.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' HA ' HG23 ' A' ' 54' ' ' VAL . 46.7 t -99.01 127.65 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 16' ' ' ALA . 89.6 m -109.29 142.56 40.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -120.18 -179.75 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.456 ' HA ' HG11 ' A' ' 52' ' ' VAL . . . -91.13 -52.39 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.09 157.37 15.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.4 p -87.43 -43.49 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -47.1 -42.14 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.582 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' SER . 1.5 t -57.9 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 74' ' ' VAL . . . -38.45 -38.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -55.33 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' SER . 0.3 OUTLIER -51.79 -56.59 12.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 71' ' ' ALA . 7.6 p -61.13 -32.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 89' ' ' ILE . 5.8 mt -61.6 -19.28 62.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.52 -57.71 2.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.64 HG11 ' OH ' ' A' ' 48' ' ' TYR . 25.4 t -67.92 -9.57 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 74' ' ' VAL . 19.1 p-10 -38.68 -41.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -40.26 -27.69 0.15 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.439 ' SD ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -44.42 168.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.043 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CB ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -136.31 158.68 43.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 48.2 t -123.43 116.51 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt 57.11 32.39 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.18 -20.49 42.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.88 96.35 4.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.293 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.558 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . . . -64.41 125.01 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.687 HG11 HD21 ' A' ' 41' ' ' LEU . 5.7 m -97.8 143.99 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -121.05 100.77 7.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.725 ' CG1' HG22 ' A' ' 20' ' ' VAL . 4.0 mp -90.77 125.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -172.41 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.83 123.24 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.546 1.154 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.23 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.53 1.805 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.4 m -98.77 141.23 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -161.74 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.998 . . . . . . . . 0 0 . 1 stop_ save_